USER MOD reduce.3.24.130724 H: found=0, std=0, add=686, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 686 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 59 LYS NZ :NH3+ -153:sc= 0.382 (180deg=-2.14!) USER MOD Set 1.2: A 70 SER OG : rot -40:sc= 1.65 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -155:sc= 0.666 (180deg=0.16!) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 HIS : no HD1:sc= 0.0108 X(o=0.011,f=-0.49) USER MOD Single : A 5 HIS : no HE2:sc= -0.0844 K(o=-0.084,f=-0.65) USER MOD Single : A 6 HIS : no HE2:sc= 0.189 K(o=0.19,f=-0.85) USER MOD Single : A 7 HIS : no HD1:sc= -0.225 X(o=-0.22,f=-0.0024) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 HIS : no HD1:sc= -0.515 X(o=-0.52,f=-0.96) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0375) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 167:sc= -0.0182 (180deg=-0.248) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot 39:sc= 0.673 USER MOD Single : A 27 SER OG : rot 39:sc= 0.707 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 32 CYS SG : rot -117:sc= 0.0948 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0.661 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 177:sc= 1.81 (180deg=1.67) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc= -0.999 K(o=-1,f=-0.0057) USER MOD Single : A 42 GLN : amide:sc= -0.241 X(o=-0.24,f=-0.58) USER MOD Single : A 45 THR OG1 : rot -68:sc= -2.14! USER MOD Single : A 46 ASN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 52 GLN : amide:sc= 0.036 K(o=0.036,f=-1.5) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot -169:sc= -0.273 USER MOD Single : A 68 LYS NZ :NH3+ -146:sc= 0.659 (180deg=0.149) USER MOD Single : A 69 GLN : amide:sc= -0.0298 K(o=-0.03,f=-5!) USER MOD Single : A 74 SER OG : rot 180:sc= 0.388 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 81 MET CE :methyl -144:sc= 0 (180deg=-0.259) USER MOD Single : A 83 SER OG : rot 8:sc= 1.04 USER MOD Single : A 84 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -15.894 -7.598 -24.614 1.00 63.35 N ATOM 2 CA MET A 1 -16.296 -6.427 -23.785 1.00 2.34 C ATOM 3 C MET A 1 -16.854 -6.867 -22.423 1.00 32.32 C ATOM 4 O MET A 1 -17.053 -8.060 -22.175 1.00 13.52 O ATOM 5 CB MET A 1 -17.340 -5.581 -24.531 1.00 23.34 C ATOM 6 CG MET A 1 -18.676 -6.280 -24.739 1.00 32.34 C ATOM 7 SD MET A 1 -18.510 -7.838 -25.634 1.00 1.44 S ATOM 8 CE MET A 1 -20.206 -8.416 -25.633 1.00 43.13 C ATOM 0 H1 MET A 1 -15.167 -7.306 -25.298 1.00 63.35 H new ATOM 0 H2 MET A 1 -15.511 -8.344 -23.999 1.00 63.35 H new ATOM 0 H3 MET A 1 -16.723 -7.962 -25.125 1.00 63.35 H new ATOM 0 HA MET A 1 -15.405 -5.825 -23.606 1.00 2.34 H new ATOM 0 HB2 MET A 1 -17.508 -4.658 -23.975 1.00 23.34 H new ATOM 0 HB3 MET A 1 -16.935 -5.299 -25.503 1.00 23.34 H new ATOM 0 HG2 MET A 1 -19.138 -6.469 -23.770 1.00 32.34 H new ATOM 0 HG3 MET A 1 -19.346 -5.619 -25.288 1.00 32.34 H new ATOM 0 HE1 MET A 1 -20.265 -9.373 -26.152 1.00 43.13 H new ATOM 0 HE2 MET A 1 -20.548 -8.539 -24.605 1.00 43.13 H new ATOM 0 HE3 MET A 1 -20.839 -7.688 -26.141 1.00 43.13 H new ATOM 20 N GLY A 2 -17.107 -5.899 -21.544 1.00 13.11 N ATOM 21 CA GLY A 2 -17.662 -6.199 -20.226 1.00 10.22 C ATOM 22 C GLY A 2 -16.645 -6.027 -19.102 1.00 12.10 C ATOM 23 O GLY A 2 -15.959 -5.007 -19.024 1.00 41.42 O ATOM 0 H GLY A 2 -16.938 -4.908 -21.718 1.00 13.11 H new ATOM 0 HA2 GLY A 2 -18.516 -5.548 -20.040 1.00 10.22 H new ATOM 0 HA3 GLY A 2 -18.035 -7.223 -20.219 1.00 10.22 H new ATOM 27 N HIS A 3 -16.544 -7.027 -18.229 1.00 40.25 N ATOM 28 CA HIS A 3 -15.602 -6.982 -17.107 1.00 60.31 C ATOM 29 C HIS A 3 -14.179 -7.349 -17.552 1.00 65.35 C ATOM 30 O HIS A 3 -13.894 -8.494 -17.913 1.00 22.11 O ATOM 31 CB HIS A 3 -16.080 -7.903 -15.979 1.00 25.02 C ATOM 32 CG HIS A 3 -17.332 -7.404 -15.326 1.00 52.54 C ATOM 33 ND1 HIS A 3 -18.597 -7.691 -15.793 1.00 25.44 N ATOM 34 CD2 HIS A 3 -17.510 -6.607 -14.243 1.00 61.24 C ATOM 35 CE1 HIS A 3 -19.491 -7.094 -15.033 1.00 52.32 C ATOM 36 NE2 HIS A 3 -18.861 -6.432 -14.087 1.00 25.03 N ATOM 0 H HIS A 3 -17.102 -7.880 -18.275 1.00 40.25 H new ATOM 0 HA HIS A 3 -15.569 -5.959 -16.732 1.00 60.31 H new ATOM 0 HB2 HIS A 3 -16.255 -8.902 -16.379 1.00 25.02 H new ATOM 0 HB3 HIS A 3 -15.294 -7.993 -15.230 1.00 25.02 H new ATOM 0 HD2 HIS A 3 -16.733 -6.189 -13.620 1.00 61.24 H new ATOM 0 HE1 HIS A 3 -20.562 -7.140 -15.164 1.00 52.32 H new ATOM 0 HE2 HIS A 3 -19.306 -5.878 -13.355 1.00 25.03 H new ATOM 45 N HIS A 4 -13.289 -6.366 -17.489 1.00 54.21 N ATOM 46 CA HIS A 4 -11.934 -6.489 -18.025 1.00 51.20 C ATOM 47 C HIS A 4 -11.036 -7.356 -17.131 1.00 75.13 C ATOM 48 O HIS A 4 -10.505 -6.897 -16.117 1.00 2.24 O ATOM 49 CB HIS A 4 -11.333 -5.092 -18.205 1.00 62.32 C ATOM 50 CG HIS A 4 -12.198 -4.202 -19.042 1.00 72.40 C ATOM 51 ND1 HIS A 4 -13.239 -3.459 -18.524 1.00 45.12 N ATOM 52 CD2 HIS A 4 -12.200 -3.965 -20.375 1.00 41.52 C ATOM 53 CE1 HIS A 4 -13.843 -2.812 -19.499 1.00 72.23 C ATOM 54 NE2 HIS A 4 -13.234 -3.099 -20.630 1.00 41.32 N ATOM 0 H HIS A 4 -13.484 -5.459 -17.065 1.00 54.21 H new ATOM 0 HA HIS A 4 -11.993 -6.991 -18.991 1.00 51.20 H new ATOM 0 HB2 HIS A 4 -11.185 -4.634 -17.227 1.00 62.32 H new ATOM 0 HB3 HIS A 4 -10.350 -5.179 -18.668 1.00 62.32 H new ATOM 0 HD2 HIS A 4 -11.516 -4.379 -21.101 1.00 41.52 H new ATOM 0 HE1 HIS A 4 -14.694 -2.157 -19.389 1.00 72.23 H new ATOM 0 HE2 HIS A 4 -13.489 -2.736 -21.548 1.00 41.32 H new ATOM 63 N HIS A 5 -10.883 -8.619 -17.519 1.00 53.43 N ATOM 64 CA HIS A 5 -10.032 -9.563 -16.793 1.00 35.13 C ATOM 65 C HIS A 5 -8.542 -9.212 -16.969 1.00 13.14 C ATOM 66 O HIS A 5 -7.847 -9.777 -17.813 1.00 21.54 O ATOM 67 CB HIS A 5 -10.320 -10.995 -17.272 1.00 11.05 C ATOM 68 CG HIS A 5 -9.518 -12.048 -16.572 1.00 11.22 C ATOM 69 ND1 HIS A 5 -8.301 -12.494 -17.039 1.00 35.43 N ATOM 70 CD2 HIS A 5 -9.763 -12.750 -15.440 1.00 43.11 C ATOM 71 CE1 HIS A 5 -7.834 -13.422 -16.231 1.00 3.30 C ATOM 72 NE2 HIS A 5 -8.699 -13.596 -15.252 1.00 75.22 N ATOM 0 H HIS A 5 -11.341 -9.017 -18.339 1.00 53.43 H new ATOM 0 HA HIS A 5 -10.261 -9.495 -15.729 1.00 35.13 H new ATOM 0 HB2 HIS A 5 -11.380 -11.207 -17.131 1.00 11.05 H new ATOM 0 HB3 HIS A 5 -10.123 -11.055 -18.342 1.00 11.05 H new ATOM 0 HD1 HIS A 5 -7.834 -12.157 -17.881 1.00 35.43 H new ATOM 0 HD2 HIS A 5 -10.632 -12.661 -14.805 1.00 43.11 H new ATOM 0 HE1 HIS A 5 -6.900 -13.951 -16.350 1.00 3.30 H new ATOM 81 N HIS A 6 -8.075 -8.244 -16.183 1.00 42.21 N ATOM 82 CA HIS A 6 -6.675 -7.799 -16.238 1.00 15.55 C ATOM 83 C HIS A 6 -5.706 -8.889 -15.748 1.00 72.45 C ATOM 84 O HIS A 6 -6.099 -9.821 -15.044 1.00 74.13 O ATOM 85 CB HIS A 6 -6.487 -6.530 -15.395 1.00 43.44 C ATOM 86 CG HIS A 6 -6.704 -6.739 -13.923 1.00 14.32 C ATOM 87 ND1 HIS A 6 -5.673 -6.920 -13.027 1.00 12.52 N ATOM 88 CD2 HIS A 6 -7.844 -6.796 -13.192 1.00 0.15 C ATOM 89 CE1 HIS A 6 -6.164 -7.078 -11.816 1.00 53.23 C ATOM 90 NE2 HIS A 6 -7.479 -7.008 -11.886 1.00 33.54 N ATOM 0 H HIS A 6 -8.644 -7.748 -15.497 1.00 42.21 H new ATOM 0 HA HIS A 6 -6.444 -7.586 -17.282 1.00 15.55 H new ATOM 0 HB2 HIS A 6 -5.479 -6.147 -15.553 1.00 43.44 H new ATOM 0 HB3 HIS A 6 -7.178 -5.765 -15.749 1.00 43.44 H new ATOM 0 HD1 HIS A 6 -4.681 -6.930 -13.266 1.00 12.52 H new ATOM 0 HD2 HIS A 6 -8.852 -6.694 -13.567 1.00 0.15 H new ATOM 0 HE1 HIS A 6 -5.587 -7.238 -10.917 1.00 53.23 H new ATOM 99 N HIS A 7 -4.432 -8.747 -16.106 1.00 0.33 N ATOM 100 CA HIS A 7 -3.392 -9.690 -15.674 1.00 44.53 C ATOM 101 C HIS A 7 -2.964 -9.428 -14.219 1.00 73.21 C ATOM 102 O HIS A 7 -3.133 -8.323 -13.700 1.00 70.04 O ATOM 103 CB HIS A 7 -2.165 -9.583 -16.591 1.00 54.53 C ATOM 104 CG HIS A 7 -2.419 -9.972 -18.017 1.00 3.32 C ATOM 105 ND1 HIS A 7 -1.614 -10.852 -18.711 1.00 21.33 N ATOM 106 CD2 HIS A 7 -3.373 -9.575 -18.895 1.00 61.25 C ATOM 107 CE1 HIS A 7 -2.061 -10.977 -19.944 1.00 20.41 C ATOM 108 NE2 HIS A 7 -3.123 -10.216 -20.082 1.00 1.53 N ATOM 0 H HIS A 7 -4.090 -7.988 -16.695 1.00 0.33 H new ATOM 0 HA HIS A 7 -3.812 -10.694 -15.736 1.00 44.53 H new ATOM 0 HB2 HIS A 7 -1.798 -8.557 -16.567 1.00 54.53 H new ATOM 0 HB3 HIS A 7 -1.372 -10.215 -16.191 1.00 54.53 H new ATOM 0 HD2 HIS A 7 -4.179 -8.884 -18.697 1.00 61.25 H new ATOM 0 HE1 HIS A 7 -1.627 -11.600 -20.712 1.00 20.41 H new ATOM 0 HE2 HIS A 7 -3.674 -10.117 -20.935 1.00 1.53 H new ATOM 117 N HIS A 8 -2.426 -10.455 -13.562 1.00 23.33 N ATOM 118 CA HIS A 8 -1.842 -10.300 -12.222 1.00 55.24 C ATOM 119 C HIS A 8 -0.305 -10.237 -12.281 1.00 52.13 C ATOM 120 O HIS A 8 0.334 -9.644 -11.412 1.00 52.25 O ATOM 121 CB HIS A 8 -2.284 -11.450 -11.307 1.00 53.40 C ATOM 122 CG HIS A 8 -1.668 -11.407 -9.937 1.00 70.12 C ATOM 123 ND1 HIS A 8 -0.983 -12.468 -9.385 1.00 63.54 N ATOM 124 CD2 HIS A 8 -1.628 -10.418 -9.009 1.00 40.14 C ATOM 125 CE1 HIS A 8 -0.550 -12.136 -8.185 1.00 14.25 C ATOM 126 NE2 HIS A 8 -0.926 -10.900 -7.932 1.00 13.25 N ATOM 0 H HIS A 8 -2.380 -11.404 -13.932 1.00 23.33 H new ATOM 0 HA HIS A 8 -2.205 -9.357 -11.812 1.00 55.24 H new ATOM 0 HB2 HIS A 8 -3.369 -11.426 -11.208 1.00 53.40 H new ATOM 0 HB3 HIS A 8 -2.028 -12.398 -11.781 1.00 53.40 H new ATOM 0 HD2 HIS A 8 -2.066 -9.435 -9.100 1.00 40.14 H new ATOM 0 HE1 HIS A 8 0.018 -12.771 -7.521 1.00 14.25 H new ATOM 0 HE2 HIS A 8 -0.728 -10.384 -7.075 1.00 13.25 H new ATOM 135 N SER A 9 0.277 -10.853 -13.307 1.00 50.31 N ATOM 136 CA SER A 9 1.741 -10.874 -13.480 1.00 42.33 C ATOM 137 C SER A 9 2.326 -9.454 -13.549 1.00 23.34 C ATOM 138 O SER A 9 2.004 -8.686 -14.456 1.00 51.03 O ATOM 139 CB SER A 9 2.125 -11.645 -14.750 1.00 35.44 C ATOM 140 OG SER A 9 3.524 -11.570 -15.002 1.00 54.45 O ATOM 0 H SER A 9 -0.237 -11.347 -14.036 1.00 50.31 H new ATOM 0 HA SER A 9 2.159 -11.377 -12.608 1.00 42.33 H new ATOM 0 HB2 SER A 9 1.828 -12.689 -14.647 1.00 35.44 H new ATOM 0 HB3 SER A 9 1.578 -11.241 -15.602 1.00 35.44 H new ATOM 0 HG SER A 9 3.737 -12.072 -15.816 1.00 54.45 H new ATOM 146 N HIS A 10 3.187 -9.121 -12.584 1.00 20.25 N ATOM 147 CA HIS A 10 3.845 -7.806 -12.523 1.00 33.53 C ATOM 148 C HIS A 10 2.824 -6.658 -12.377 1.00 33.43 C ATOM 149 O HIS A 10 3.102 -5.514 -12.740 1.00 44.31 O ATOM 150 CB HIS A 10 4.729 -7.598 -13.769 1.00 5.52 C ATOM 151 CG HIS A 10 5.606 -6.384 -13.696 1.00 63.01 C ATOM 152 ND1 HIS A 10 5.382 -5.241 -14.433 1.00 4.43 N ATOM 153 CD2 HIS A 10 6.714 -6.137 -12.959 1.00 53.03 C ATOM 154 CE1 HIS A 10 6.308 -4.350 -14.154 1.00 22.01 C ATOM 155 NE2 HIS A 10 7.127 -4.865 -13.261 1.00 22.32 N ATOM 0 H HIS A 10 3.449 -9.749 -11.825 1.00 20.25 H new ATOM 0 HA HIS A 10 4.475 -7.789 -11.634 1.00 33.53 H new ATOM 0 HB2 HIS A 10 5.356 -8.479 -13.909 1.00 5.52 H new ATOM 0 HB3 HIS A 10 4.089 -7.519 -14.648 1.00 5.52 H new ATOM 0 HD2 HIS A 10 7.185 -6.815 -12.263 1.00 53.03 H new ATOM 0 HE1 HIS A 10 6.384 -3.362 -14.585 1.00 22.01 H new ATOM 0 HE2 HIS A 10 7.937 -4.394 -12.859 1.00 22.32 H new ATOM 164 N SER A 11 1.648 -6.965 -11.828 1.00 34.15 N ATOM 165 CA SER A 11 0.611 -5.943 -11.597 1.00 2.13 C ATOM 166 C SER A 11 1.082 -4.894 -10.581 1.00 15.05 C ATOM 167 O SER A 11 1.685 -5.228 -9.557 1.00 21.23 O ATOM 168 CB SER A 11 -0.691 -6.590 -11.105 1.00 24.42 C ATOM 169 OG SER A 11 -1.711 -5.618 -10.911 1.00 54.35 O ATOM 0 H SER A 11 1.385 -7.906 -11.534 1.00 34.15 H new ATOM 0 HA SER A 11 0.424 -5.446 -12.549 1.00 2.13 H new ATOM 0 HB2 SER A 11 -1.027 -7.333 -11.829 1.00 24.42 H new ATOM 0 HB3 SER A 11 -0.506 -7.118 -10.169 1.00 24.42 H new ATOM 0 HG SER A 11 -2.529 -6.059 -10.599 1.00 54.35 H new ATOM 175 N THR A 12 0.812 -3.624 -10.869 1.00 42.11 N ATOM 176 CA THR A 12 1.251 -2.525 -9.997 1.00 53.03 C ATOM 177 C THR A 12 0.078 -1.653 -9.537 1.00 1.35 C ATOM 178 O THR A 12 -0.824 -1.328 -10.313 1.00 52.21 O ATOM 179 CB THR A 12 2.291 -1.617 -10.701 1.00 33.14 C ATOM 180 OG1 THR A 12 1.731 -1.048 -11.894 1.00 50.22 O ATOM 181 CG2 THR A 12 3.558 -2.396 -11.052 1.00 62.04 C ATOM 0 H THR A 12 0.294 -3.325 -11.695 1.00 42.11 H new ATOM 0 HA THR A 12 1.708 -2.999 -9.128 1.00 53.03 H new ATOM 0 HB THR A 12 2.556 -0.818 -10.008 1.00 33.14 H new ATOM 0 HG1 THR A 12 2.398 -0.476 -12.328 1.00 50.22 H new ATOM 0 HG21 THR A 12 4.268 -1.732 -11.545 1.00 62.04 H new ATOM 0 HG22 THR A 12 4.005 -2.794 -10.141 1.00 62.04 H new ATOM 0 HG23 THR A 12 3.306 -3.218 -11.721 1.00 62.04 H new ATOM 189 N ILE A 13 0.097 -1.275 -8.261 1.00 15.14 N ATOM 190 CA ILE A 13 -0.923 -0.391 -7.697 1.00 11.35 C ATOM 191 C ILE A 13 -0.553 1.085 -7.916 1.00 34.43 C ATOM 192 O ILE A 13 0.586 1.496 -7.677 1.00 63.21 O ATOM 193 CB ILE A 13 -1.133 -0.656 -6.182 1.00 41.22 C ATOM 194 CG1 ILE A 13 0.181 -0.460 -5.400 1.00 45.31 C ATOM 195 CG2 ILE A 13 -1.689 -2.064 -5.958 1.00 53.04 C ATOM 196 CD1 ILE A 13 0.045 -0.669 -3.906 1.00 75.01 C ATOM 0 H ILE A 13 0.811 -1.568 -7.594 1.00 15.14 H new ATOM 0 HA ILE A 13 -1.856 -0.606 -8.218 1.00 11.35 H new ATOM 0 HB ILE A 13 -1.858 0.067 -5.808 1.00 41.22 H new ATOM 0 HG12 ILE A 13 0.929 -1.152 -5.787 1.00 45.31 H new ATOM 0 HG13 ILE A 13 0.554 0.548 -5.583 1.00 45.31 H new ATOM 0 HG21 ILE A 13 -1.830 -2.234 -4.891 1.00 53.04 H new ATOM 0 HG22 ILE A 13 -2.646 -2.163 -6.471 1.00 53.04 H new ATOM 0 HG23 ILE A 13 -0.988 -2.799 -6.352 1.00 53.04 H new ATOM 0 HD11 ILE A 13 1.012 -0.513 -3.427 1.00 75.01 H new ATOM 0 HD12 ILE A 13 -0.678 0.041 -3.504 1.00 75.01 H new ATOM 0 HD13 ILE A 13 -0.297 -1.685 -3.710 1.00 75.01 H new ATOM 208 N LYS A 14 -1.512 1.876 -8.389 1.00 2.01 N ATOM 209 CA LYS A 14 -1.275 3.299 -8.639 1.00 61.13 C ATOM 210 C LYS A 14 -1.778 4.158 -7.471 1.00 2.14 C ATOM 211 O LYS A 14 -2.979 4.383 -7.309 1.00 54.13 O ATOM 212 CB LYS A 14 -1.937 3.736 -9.951 1.00 71.00 C ATOM 213 CG LYS A 14 -1.387 3.023 -11.186 1.00 35.14 C ATOM 214 CD LYS A 14 -1.945 3.608 -12.484 1.00 31.20 C ATOM 215 CE LYS A 14 -3.458 3.452 -12.585 1.00 53.42 C ATOM 216 NZ LYS A 14 -3.868 2.029 -12.703 1.00 42.23 N ATOM 0 H LYS A 14 -2.457 1.560 -8.607 1.00 2.01 H new ATOM 0 HA LYS A 14 -0.199 3.448 -8.728 1.00 61.13 H new ATOM 0 HB2 LYS A 14 -3.009 3.553 -9.885 1.00 71.00 H new ATOM 0 HB3 LYS A 14 -1.804 4.811 -10.074 1.00 71.00 H new ATOM 0 HG2 LYS A 14 -0.300 3.098 -11.193 1.00 35.14 H new ATOM 0 HG3 LYS A 14 -1.633 1.963 -11.132 1.00 35.14 H new ATOM 0 HD2 LYS A 14 -1.686 4.665 -12.544 1.00 31.20 H new ATOM 0 HD3 LYS A 14 -1.474 3.115 -13.334 1.00 31.20 H new ATOM 0 HE2 LYS A 14 -3.927 3.892 -11.705 1.00 53.42 H new ATOM 0 HE3 LYS A 14 -3.822 4.006 -13.450 1.00 53.42 H new ATOM 0 HZ1 LYS A 14 -4.890 1.976 -12.888 1.00 42.23 H new ATOM 0 HZ2 LYS A 14 -3.351 1.583 -13.487 1.00 42.23 H new ATOM 0 HZ3 LYS A 14 -3.650 1.530 -11.817 1.00 42.23 H new ATOM 230 N LEU A 15 -0.843 4.611 -6.648 1.00 13.44 N ATOM 231 CA LEU A 15 -1.151 5.440 -5.480 1.00 42.22 C ATOM 232 C LEU A 15 -1.020 6.938 -5.810 1.00 65.03 C ATOM 233 O LEU A 15 -0.642 7.311 -6.921 1.00 75.10 O ATOM 234 CB LEU A 15 -0.199 5.066 -4.332 1.00 11.43 C ATOM 235 CG LEU A 15 -0.120 3.561 -4.017 1.00 20.13 C ATOM 236 CD1 LEU A 15 0.877 3.285 -2.894 1.00 32.13 C ATOM 237 CD2 LEU A 15 -1.499 3.007 -3.671 1.00 54.22 C ATOM 0 H LEU A 15 0.151 4.417 -6.767 1.00 13.44 H new ATOM 0 HA LEU A 15 -2.183 5.255 -5.181 1.00 42.22 H new ATOM 0 HB2 LEU A 15 0.801 5.423 -4.578 1.00 11.43 H new ATOM 0 HB3 LEU A 15 -0.514 5.594 -3.432 1.00 11.43 H new ATOM 0 HG LEU A 15 0.236 3.049 -4.911 1.00 20.13 H new ATOM 0 HD11 LEU A 15 0.912 2.214 -2.693 1.00 32.13 H new ATOM 0 HD12 LEU A 15 1.867 3.630 -3.193 1.00 32.13 H new ATOM 0 HD13 LEU A 15 0.565 3.813 -1.993 1.00 32.13 H new ATOM 0 HD21 LEU A 15 -1.419 1.942 -3.452 1.00 54.22 H new ATOM 0 HD22 LEU A 15 -1.892 3.528 -2.798 1.00 54.22 H new ATOM 0 HD23 LEU A 15 -2.173 3.154 -4.515 1.00 54.22 H new ATOM 249 N THR A 16 -1.340 7.794 -4.846 1.00 73.13 N ATOM 250 CA THR A 16 -1.206 9.248 -5.025 1.00 70.32 C ATOM 251 C THR A 16 -0.697 9.919 -3.744 1.00 21.50 C ATOM 252 O THR A 16 -1.446 10.100 -2.786 1.00 23.45 O ATOM 253 CB THR A 16 -2.549 9.892 -5.455 1.00 24.13 C ATOM 254 OG1 THR A 16 -3.025 9.275 -6.665 1.00 11.11 O ATOM 255 CG2 THR A 16 -2.397 11.395 -5.681 1.00 52.10 C ATOM 0 H THR A 16 -1.694 7.514 -3.931 1.00 73.13 H new ATOM 0 HA THR A 16 -0.476 9.406 -5.819 1.00 70.32 H new ATOM 0 HB THR A 16 -3.267 9.734 -4.651 1.00 24.13 H new ATOM 0 HG1 THR A 16 -3.874 9.686 -6.929 1.00 11.11 H new ATOM 0 HG21 THR A 16 -3.356 11.817 -5.981 1.00 52.10 H new ATOM 0 HG22 THR A 16 -2.065 11.870 -4.758 1.00 52.10 H new ATOM 0 HG23 THR A 16 -1.661 11.572 -6.465 1.00 52.10 H new ATOM 263 N VAL A 17 0.583 10.280 -3.731 1.00 73.10 N ATOM 264 CA VAL A 17 1.224 10.840 -2.534 1.00 20.01 C ATOM 265 C VAL A 17 1.237 12.381 -2.551 1.00 4.14 C ATOM 266 O VAL A 17 1.380 13.001 -3.605 1.00 72.21 O ATOM 267 CB VAL A 17 2.673 10.304 -2.385 1.00 45.02 C ATOM 268 CG1 VAL A 17 3.563 10.785 -3.531 1.00 64.24 C ATOM 269 CG2 VAL A 17 3.259 10.693 -1.030 1.00 13.31 C ATOM 0 H VAL A 17 1.203 10.196 -4.537 1.00 73.10 H new ATOM 0 HA VAL A 17 0.631 10.519 -1.678 1.00 20.01 H new ATOM 0 HB VAL A 17 2.634 9.216 -2.435 1.00 45.02 H new ATOM 0 HG11 VAL A 17 4.571 10.393 -3.398 1.00 64.24 H new ATOM 0 HG12 VAL A 17 3.158 10.431 -4.479 1.00 64.24 H new ATOM 0 HG13 VAL A 17 3.595 11.875 -3.534 1.00 64.24 H new ATOM 0 HG21 VAL A 17 4.275 10.306 -0.948 1.00 13.31 H new ATOM 0 HG22 VAL A 17 3.276 11.779 -0.939 1.00 13.31 H new ATOM 0 HG23 VAL A 17 2.645 10.272 -0.234 1.00 13.31 H new ATOM 279 N LYS A 18 1.074 12.992 -1.378 1.00 25.04 N ATOM 280 CA LYS A 18 1.103 14.454 -1.250 1.00 23.21 C ATOM 281 C LYS A 18 2.526 14.984 -1.011 1.00 25.41 C ATOM 282 O LYS A 18 3.107 14.772 0.056 1.00 22.01 O ATOM 283 CB LYS A 18 0.200 14.916 -0.097 1.00 23.35 C ATOM 284 CG LYS A 18 -1.284 14.657 -0.320 1.00 11.33 C ATOM 285 CD LYS A 18 -2.123 15.174 0.847 1.00 3.15 C ATOM 286 CE LYS A 18 -3.611 14.926 0.632 1.00 72.24 C ATOM 287 NZ LYS A 18 -3.910 13.483 0.443 1.00 53.02 N ATOM 0 H LYS A 18 0.920 12.498 -0.499 1.00 25.04 H new ATOM 0 HA LYS A 18 0.737 14.858 -2.194 1.00 23.21 H new ATOM 0 HB2 LYS A 18 0.511 14.411 0.817 1.00 23.35 H new ATOM 0 HB3 LYS A 18 0.351 15.984 0.061 1.00 23.35 H new ATOM 0 HG2 LYS A 18 -1.604 15.141 -1.243 1.00 11.33 H new ATOM 0 HG3 LYS A 18 -1.453 13.588 -0.446 1.00 11.33 H new ATOM 0 HD2 LYS A 18 -1.803 14.686 1.768 1.00 3.15 H new ATOM 0 HD3 LYS A 18 -1.948 16.242 0.975 1.00 3.15 H new ATOM 0 HE2 LYS A 18 -4.170 15.303 1.489 1.00 72.24 H new ATOM 0 HE3 LYS A 18 -3.950 15.484 -0.241 1.00 72.24 H new ATOM 0 HZ1 LYS A 18 -4.935 13.328 0.520 1.00 53.02 H new ATOM 0 HZ2 LYS A 18 -3.584 13.181 -0.497 1.00 53.02 H new ATOM 0 HZ3 LYS A 18 -3.420 12.928 1.174 1.00 53.02 H new ATOM 301 N PHE A 19 3.082 15.665 -2.010 1.00 4.51 N ATOM 302 CA PHE A 19 4.329 16.421 -1.839 1.00 43.41 C ATOM 303 C PHE A 19 4.002 17.856 -1.385 1.00 75.12 C ATOM 304 O PHE A 19 4.172 18.820 -2.139 1.00 23.52 O ATOM 305 CB PHE A 19 5.143 16.442 -3.150 1.00 61.04 C ATOM 306 CG PHE A 19 6.462 15.712 -3.074 1.00 31.25 C ATOM 307 CD1 PHE A 19 7.498 16.201 -2.285 1.00 11.20 C ATOM 308 CD2 PHE A 19 6.669 14.545 -3.792 1.00 43.43 C ATOM 309 CE1 PHE A 19 8.712 15.543 -2.225 1.00 73.31 C ATOM 310 CE2 PHE A 19 7.879 13.883 -3.733 1.00 63.13 C ATOM 311 CZ PHE A 19 8.900 14.380 -2.945 1.00 54.45 C ATOM 0 H PHE A 19 2.690 15.711 -2.951 1.00 4.51 H new ATOM 0 HA PHE A 19 4.936 15.932 -1.077 1.00 43.41 H new ATOM 0 HB2 PHE A 19 4.542 16.000 -3.944 1.00 61.04 H new ATOM 0 HB3 PHE A 19 5.330 17.478 -3.431 1.00 61.04 H new ATOM 0 HD1 PHE A 19 7.352 17.105 -1.713 1.00 11.20 H new ATOM 0 HD2 PHE A 19 5.874 14.148 -4.406 1.00 43.43 H new ATOM 0 HE1 PHE A 19 9.512 15.938 -1.616 1.00 73.31 H new ATOM 0 HE2 PHE A 19 8.028 12.977 -4.302 1.00 63.13 H new ATOM 0 HZ PHE A 19 9.844 13.859 -2.892 1.00 54.45 H new ATOM 321 N GLY A 20 3.497 17.984 -0.158 1.00 61.41 N ATOM 322 CA GLY A 20 3.015 19.272 0.327 1.00 21.24 C ATOM 323 C GLY A 20 1.795 19.762 -0.451 1.00 30.22 C ATOM 324 O GLY A 20 0.670 19.316 -0.205 1.00 11.45 O ATOM 0 H GLY A 20 3.412 17.218 0.511 1.00 61.41 H new ATOM 0 HA2 GLY A 20 2.760 19.188 1.384 1.00 21.24 H new ATOM 0 HA3 GLY A 20 3.814 20.010 0.249 1.00 21.24 H new ATOM 328 N GLY A 21 2.015 20.668 -1.398 1.00 24.02 N ATOM 329 CA GLY A 21 0.930 21.156 -2.245 1.00 60.34 C ATOM 330 C GLY A 21 0.814 20.403 -3.567 1.00 4.21 C ATOM 331 O GLY A 21 -0.002 20.749 -4.425 1.00 42.34 O ATOM 0 H GLY A 21 2.927 21.077 -1.598 1.00 24.02 H new ATOM 0 HA2 GLY A 21 -0.012 21.072 -1.703 1.00 60.34 H new ATOM 0 HA3 GLY A 21 1.086 22.215 -2.450 1.00 60.34 H new ATOM 335 N LYS A 22 1.638 19.371 -3.732 1.00 55.32 N ATOM 336 CA LYS A 22 1.640 18.550 -4.951 1.00 13.33 C ATOM 337 C LYS A 22 1.001 17.173 -4.702 1.00 43.15 C ATOM 338 O LYS A 22 1.108 16.618 -3.610 1.00 20.23 O ATOM 339 CB LYS A 22 3.086 18.358 -5.435 1.00 41.32 C ATOM 340 CG LYS A 22 3.823 19.661 -5.742 1.00 2.05 C ATOM 341 CD LYS A 22 3.283 20.347 -6.995 1.00 32.42 C ATOM 342 CE LYS A 22 3.527 19.505 -8.242 1.00 52.13 C ATOM 343 NZ LYS A 22 3.102 20.207 -9.482 1.00 51.30 N ATOM 0 H LYS A 22 2.320 19.078 -3.033 1.00 55.32 H new ATOM 0 HA LYS A 22 1.052 19.067 -5.709 1.00 13.33 H new ATOM 0 HB2 LYS A 22 3.642 17.810 -4.674 1.00 41.32 H new ATOM 0 HB3 LYS A 22 3.078 17.739 -6.332 1.00 41.32 H new ATOM 0 HG2 LYS A 22 3.732 20.337 -4.892 1.00 2.05 H new ATOM 0 HG3 LYS A 22 4.885 19.454 -5.872 1.00 2.05 H new ATOM 0 HD2 LYS A 22 2.214 20.528 -6.880 1.00 32.42 H new ATOM 0 HD3 LYS A 22 3.760 21.320 -7.113 1.00 32.42 H new ATOM 0 HE2 LYS A 22 4.586 19.258 -8.311 1.00 52.13 H new ATOM 0 HE3 LYS A 22 2.985 18.563 -8.155 1.00 52.13 H new ATOM 0 HZ1 LYS A 22 3.286 19.599 -10.305 1.00 51.30 H new ATOM 0 HZ2 LYS A 22 2.086 20.420 -9.429 1.00 51.30 H new ATOM 0 HZ3 LYS A 22 3.637 21.093 -9.580 1.00 51.30 H new ATOM 357 N SER A 23 0.340 16.626 -5.720 1.00 53.33 N ATOM 358 CA SER A 23 -0.220 15.266 -5.649 1.00 33.44 C ATOM 359 C SER A 23 0.400 14.378 -6.736 1.00 50.44 C ATOM 360 O SER A 23 0.020 14.449 -7.905 1.00 54.43 O ATOM 361 CB SER A 23 -1.751 15.289 -5.793 1.00 73.11 C ATOM 362 OG SER A 23 -2.159 15.841 -7.040 1.00 72.23 O ATOM 0 H SER A 23 0.176 17.100 -6.608 1.00 53.33 H new ATOM 0 HA SER A 23 0.023 14.852 -4.670 1.00 33.44 H new ATOM 0 HB2 SER A 23 -2.140 14.275 -5.701 1.00 73.11 H new ATOM 0 HB3 SER A 23 -2.183 15.871 -4.979 1.00 73.11 H new ATOM 0 HG SER A 23 -1.545 15.546 -7.745 1.00 72.23 H new ATOM 368 N ILE A 24 1.368 13.553 -6.342 1.00 74.33 N ATOM 369 CA ILE A 24 2.140 12.740 -7.288 1.00 50.11 C ATOM 370 C ILE A 24 1.624 11.288 -7.352 1.00 14.44 C ATOM 371 O ILE A 24 1.606 10.583 -6.340 1.00 14.42 O ATOM 372 CB ILE A 24 3.644 12.724 -6.896 1.00 24.53 C ATOM 373 CG1 ILE A 24 4.141 14.151 -6.580 1.00 51.23 C ATOM 374 CG2 ILE A 24 4.487 12.087 -8.003 1.00 13.23 C ATOM 375 CD1 ILE A 24 3.961 15.145 -7.711 1.00 12.13 C ATOM 0 H ILE A 24 1.640 13.427 -5.367 1.00 74.33 H new ATOM 0 HA ILE A 24 2.017 13.196 -8.270 1.00 50.11 H new ATOM 0 HB ILE A 24 3.755 12.119 -5.996 1.00 24.53 H new ATOM 0 HG12 ILE A 24 3.612 14.520 -5.701 1.00 51.23 H new ATOM 0 HG13 ILE A 24 5.198 14.104 -6.319 1.00 51.23 H new ATOM 0 HG21 ILE A 24 5.536 12.087 -7.707 1.00 13.23 H new ATOM 0 HG22 ILE A 24 4.156 11.062 -8.168 1.00 13.23 H new ATOM 0 HG23 ILE A 24 4.370 12.658 -8.924 1.00 13.23 H new ATOM 0 HD11 ILE A 24 4.337 16.120 -7.402 1.00 12.13 H new ATOM 0 HD12 ILE A 24 4.514 14.804 -8.586 1.00 12.13 H new ATOM 0 HD13 ILE A 24 2.903 15.226 -7.959 1.00 12.13 H new ATOM 387 N PRO A 25 1.178 10.823 -8.538 1.00 44.54 N ATOM 388 CA PRO A 25 0.776 9.420 -8.729 1.00 44.55 C ATOM 389 C PRO A 25 1.984 8.466 -8.856 1.00 22.22 C ATOM 390 O PRO A 25 2.913 8.719 -9.630 1.00 73.42 O ATOM 391 CB PRO A 25 -0.034 9.466 -10.031 1.00 51.31 C ATOM 392 CG PRO A 25 0.541 10.612 -10.797 1.00 4.23 C ATOM 393 CD PRO A 25 1.016 11.620 -9.774 1.00 42.11 C ATOM 0 HA PRO A 25 0.216 9.032 -7.878 1.00 44.55 H new ATOM 0 HB2 PRO A 25 0.057 8.533 -10.587 1.00 51.31 H new ATOM 0 HB3 PRO A 25 -1.095 9.616 -9.832 1.00 51.31 H new ATOM 0 HG2 PRO A 25 1.366 10.281 -11.428 1.00 4.23 H new ATOM 0 HG3 PRO A 25 -0.207 11.052 -11.456 1.00 4.23 H new ATOM 0 HD2 PRO A 25 1.955 12.084 -10.076 1.00 42.11 H new ATOM 0 HD3 PRO A 25 0.292 12.424 -9.639 1.00 42.11 H new ATOM 401 N LEU A 26 1.966 7.370 -8.090 1.00 40.03 N ATOM 402 CA LEU A 26 3.084 6.410 -8.062 1.00 74.25 C ATOM 403 C LEU A 26 2.602 4.973 -8.324 1.00 11.40 C ATOM 404 O LEU A 26 1.708 4.480 -7.644 1.00 60.44 O ATOM 405 CB LEU A 26 3.785 6.460 -6.698 1.00 12.41 C ATOM 406 CG LEU A 26 4.359 7.827 -6.284 1.00 33.13 C ATOM 407 CD1 LEU A 26 4.955 7.747 -4.883 1.00 5.21 C ATOM 408 CD2 LEU A 26 5.406 8.308 -7.290 1.00 23.32 C ATOM 0 H LEU A 26 1.189 7.122 -7.478 1.00 40.03 H new ATOM 0 HA LEU A 26 3.779 6.693 -8.853 1.00 74.25 H new ATOM 0 HB2 LEU A 26 3.075 6.140 -5.935 1.00 12.41 H new ATOM 0 HB3 LEU A 26 4.597 5.733 -6.702 1.00 12.41 H new ATOM 0 HG LEU A 26 3.545 8.552 -6.275 1.00 33.13 H new ATOM 0 HD11 LEU A 26 5.357 8.720 -4.603 1.00 5.21 H new ATOM 0 HD12 LEU A 26 4.180 7.457 -4.174 1.00 5.21 H new ATOM 0 HD13 LEU A 26 5.755 7.006 -4.870 1.00 5.21 H new ATOM 0 HD21 LEU A 26 5.796 9.276 -6.975 1.00 23.32 H new ATOM 0 HD22 LEU A 26 6.222 7.587 -7.339 1.00 23.32 H new ATOM 0 HD23 LEU A 26 4.947 8.405 -8.274 1.00 23.32 H new ATOM 420 N SER A 27 3.213 4.300 -9.295 1.00 31.11 N ATOM 421 CA SER A 27 2.864 2.904 -9.617 1.00 1.43 C ATOM 422 C SER A 27 3.916 1.931 -9.066 1.00 11.51 C ATOM 423 O SER A 27 5.021 1.833 -9.601 1.00 44.54 O ATOM 424 CB SER A 27 2.733 2.715 -11.137 1.00 53.00 C ATOM 425 OG SER A 27 3.942 3.047 -11.808 1.00 32.51 O ATOM 0 H SER A 27 3.953 4.692 -9.877 1.00 31.11 H new ATOM 0 HA SER A 27 1.906 2.686 -9.146 1.00 1.43 H new ATOM 0 HB2 SER A 27 2.467 1.681 -11.355 1.00 53.00 H new ATOM 0 HB3 SER A 27 1.923 3.339 -11.514 1.00 53.00 H new ATOM 0 HG SER A 27 4.706 2.729 -11.282 1.00 32.51 H new ATOM 431 N VAL A 28 3.569 1.216 -7.993 1.00 12.23 N ATOM 432 CA VAL A 28 4.497 0.264 -7.349 1.00 24.35 C ATOM 433 C VAL A 28 3.817 -1.085 -7.051 1.00 74.32 C ATOM 434 O VAL A 28 2.624 -1.258 -7.292 1.00 11.02 O ATOM 435 CB VAL A 28 5.073 0.838 -6.025 1.00 73.05 C ATOM 436 CG1 VAL A 28 5.901 2.096 -6.289 1.00 13.34 C ATOM 437 CG2 VAL A 28 3.951 1.123 -5.025 1.00 41.24 C ATOM 0 H VAL A 28 2.654 1.273 -7.547 1.00 12.23 H new ATOM 0 HA VAL A 28 5.310 0.104 -8.058 1.00 24.35 H new ATOM 0 HB VAL A 28 5.733 0.088 -5.590 1.00 73.05 H new ATOM 0 HG11 VAL A 28 6.293 2.478 -5.346 1.00 13.34 H new ATOM 0 HG12 VAL A 28 6.729 1.853 -6.955 1.00 13.34 H new ATOM 0 HG13 VAL A 28 5.272 2.855 -6.755 1.00 13.34 H new ATOM 0 HG21 VAL A 28 4.377 1.524 -4.105 1.00 41.24 H new ATOM 0 HG22 VAL A 28 3.259 1.849 -5.452 1.00 41.24 H new ATOM 0 HG23 VAL A 28 3.417 0.199 -4.805 1.00 41.24 H new ATOM 447 N SER A 29 4.585 -2.044 -6.533 1.00 64.45 N ATOM 448 CA SER A 29 4.040 -3.357 -6.143 1.00 43.22 C ATOM 449 C SER A 29 3.763 -3.410 -4.632 1.00 33.35 C ATOM 450 O SER A 29 4.617 -3.045 -3.826 1.00 61.12 O ATOM 451 CB SER A 29 5.003 -4.491 -6.538 1.00 13.30 C ATOM 452 OG SER A 29 5.128 -4.595 -7.949 1.00 34.43 O ATOM 0 H SER A 29 5.587 -1.942 -6.371 1.00 64.45 H new ATOM 0 HA SER A 29 3.099 -3.495 -6.676 1.00 43.22 H new ATOM 0 HB2 SER A 29 5.983 -4.309 -6.097 1.00 13.30 H new ATOM 0 HB3 SER A 29 4.641 -5.436 -6.132 1.00 13.30 H new ATOM 0 HG SER A 29 5.747 -5.322 -8.170 1.00 34.43 H new ATOM 458 N PRO A 30 2.566 -3.883 -4.224 1.00 52.23 N ATOM 459 CA PRO A 30 2.146 -3.888 -2.804 1.00 54.44 C ATOM 460 C PRO A 30 3.066 -4.717 -1.885 1.00 71.13 C ATOM 461 O PRO A 30 3.172 -4.441 -0.688 1.00 44.34 O ATOM 462 CB PRO A 30 0.733 -4.498 -2.849 1.00 15.04 C ATOM 463 CG PRO A 30 0.666 -5.231 -4.151 1.00 15.44 C ATOM 464 CD PRO A 30 1.525 -4.450 -5.104 1.00 71.21 C ATOM 0 HA PRO A 30 2.186 -2.884 -2.381 1.00 54.44 H new ATOM 0 HB2 PRO A 30 0.568 -5.172 -2.008 1.00 15.04 H new ATOM 0 HB3 PRO A 30 -0.032 -3.724 -2.793 1.00 15.04 H new ATOM 0 HG2 PRO A 30 1.030 -6.253 -4.044 1.00 15.44 H new ATOM 0 HG3 PRO A 30 -0.361 -5.294 -4.512 1.00 15.44 H new ATOM 0 HD2 PRO A 30 1.953 -5.088 -5.877 1.00 71.21 H new ATOM 0 HD3 PRO A 30 0.958 -3.670 -5.613 1.00 71.21 H new ATOM 472 N ASP A 31 3.723 -5.734 -2.446 1.00 63.13 N ATOM 473 CA ASP A 31 4.620 -6.607 -1.672 1.00 50.12 C ATOM 474 C ASP A 31 5.949 -5.908 -1.303 1.00 62.41 C ATOM 475 O ASP A 31 6.748 -6.448 -0.530 1.00 1.32 O ATOM 476 CB ASP A 31 4.901 -7.898 -2.453 1.00 13.22 C ATOM 477 CG ASP A 31 3.643 -8.717 -2.692 1.00 64.20 C ATOM 478 OD1 ASP A 31 3.272 -9.520 -1.812 1.00 72.14 O ATOM 479 OD2 ASP A 31 3.018 -8.562 -3.762 1.00 44.32 O ATOM 0 H ASP A 31 3.653 -5.977 -3.434 1.00 63.13 H new ATOM 0 HA ASP A 31 4.112 -6.846 -0.738 1.00 50.12 H new ATOM 0 HB2 ASP A 31 5.356 -7.648 -3.411 1.00 13.22 H new ATOM 0 HB3 ASP A 31 5.625 -8.501 -1.905 1.00 13.22 H new ATOM 484 N CYS A 32 6.188 -4.719 -1.858 1.00 22.23 N ATOM 485 CA CYS A 32 7.392 -3.934 -1.535 1.00 31.30 C ATOM 486 C CYS A 32 7.241 -3.204 -0.194 1.00 31.13 C ATOM 487 O CYS A 32 6.134 -2.833 0.203 1.00 24.52 O ATOM 488 CB CYS A 32 7.692 -2.910 -2.638 1.00 43.41 C ATOM 489 SG CYS A 32 8.306 -3.633 -4.175 1.00 15.31 S ATOM 0 H CYS A 32 5.567 -4.274 -2.534 1.00 22.23 H new ATOM 0 HA CYS A 32 8.222 -4.637 -1.461 1.00 31.30 H new ATOM 0 HB2 CYS A 32 6.783 -2.347 -2.852 1.00 43.41 H new ATOM 0 HB3 CYS A 32 8.428 -2.197 -2.266 1.00 43.41 H new ATOM 0 HG CYS A 32 9.512 -3.205 -4.404 1.00 15.31 H new ATOM 495 N THR A 33 8.359 -2.999 0.504 1.00 30.32 N ATOM 496 CA THR A 33 8.352 -2.273 1.784 1.00 73.52 C ATOM 497 C THR A 33 8.395 -0.759 1.556 1.00 45.44 C ATOM 498 O THR A 33 8.813 -0.290 0.498 1.00 64.54 O ATOM 499 CB THR A 33 9.555 -2.654 2.683 1.00 61.44 C ATOM 500 OG1 THR A 33 10.767 -2.127 2.125 1.00 54.10 O ATOM 501 CG2 THR A 33 9.680 -4.167 2.828 1.00 13.52 C ATOM 0 H THR A 33 9.280 -3.323 0.209 1.00 30.32 H new ATOM 0 HA THR A 33 7.427 -2.558 2.285 1.00 73.52 H new ATOM 0 HB THR A 33 9.385 -2.226 3.671 1.00 61.44 H new ATOM 0 HG1 THR A 33 11.524 -2.370 2.699 1.00 54.10 H new ATOM 0 HG21 THR A 33 10.533 -4.402 3.464 1.00 13.52 H new ATOM 0 HG22 THR A 33 8.771 -4.566 3.278 1.00 13.52 H new ATOM 0 HG23 THR A 33 9.826 -4.616 1.845 1.00 13.52 H new ATOM 509 N VAL A 34 7.978 0.010 2.553 1.00 22.11 N ATOM 510 CA VAL A 34 8.018 1.468 2.452 1.00 42.12 C ATOM 511 C VAL A 34 9.466 1.992 2.451 1.00 50.24 C ATOM 512 O VAL A 34 9.742 3.096 1.973 1.00 52.21 O ATOM 513 CB VAL A 34 7.206 2.132 3.583 1.00 10.42 C ATOM 514 CG1 VAL A 34 5.753 1.656 3.537 1.00 50.02 C ATOM 515 CG2 VAL A 34 7.836 1.853 4.945 1.00 61.05 C ATOM 0 H VAL A 34 7.610 -0.345 3.436 1.00 22.11 H new ATOM 0 HA VAL A 34 7.559 1.737 1.501 1.00 42.12 H new ATOM 0 HB VAL A 34 7.219 3.211 3.432 1.00 10.42 H new ATOM 0 HG11 VAL A 34 5.189 2.131 4.340 1.00 50.02 H new ATOM 0 HG12 VAL A 34 5.313 1.924 2.576 1.00 50.02 H new ATOM 0 HG13 VAL A 34 5.721 0.574 3.662 1.00 50.02 H new ATOM 0 HG21 VAL A 34 7.244 2.332 5.725 1.00 61.05 H new ATOM 0 HG22 VAL A 34 7.863 0.777 5.120 1.00 61.05 H new ATOM 0 HG23 VAL A 34 8.851 2.250 4.965 1.00 61.05 H new ATOM 525 N LYS A 35 10.391 1.190 2.979 1.00 74.43 N ATOM 526 CA LYS A 35 11.818 1.515 2.904 1.00 72.25 C ATOM 527 C LYS A 35 12.351 1.260 1.486 1.00 30.40 C ATOM 528 O LYS A 35 13.209 1.995 0.989 1.00 1.31 O ATOM 529 CB LYS A 35 12.616 0.712 3.943 1.00 13.31 C ATOM 530 CG LYS A 35 14.116 1.017 3.940 1.00 11.20 C ATOM 531 CD LYS A 35 14.809 0.534 5.215 1.00 11.31 C ATOM 532 CE LYS A 35 14.649 -0.966 5.432 1.00 14.52 C ATOM 533 NZ LYS A 35 15.239 -1.407 6.725 1.00 31.23 N ATOM 0 H LYS A 35 10.181 0.316 3.461 1.00 74.43 H new ATOM 0 HA LYS A 35 11.943 2.574 3.132 1.00 72.25 H new ATOM 0 HB2 LYS A 35 12.215 0.919 4.935 1.00 13.31 H new ATOM 0 HB3 LYS A 35 12.471 -0.352 3.756 1.00 13.31 H new ATOM 0 HG2 LYS A 35 14.579 0.542 3.075 1.00 11.20 H new ATOM 0 HG3 LYS A 35 14.266 2.091 3.832 1.00 11.20 H new ATOM 0 HD2 LYS A 35 15.870 0.780 5.164 1.00 11.31 H new ATOM 0 HD3 LYS A 35 14.399 1.068 6.072 1.00 11.31 H new ATOM 0 HE2 LYS A 35 13.590 -1.225 5.409 1.00 14.52 H new ATOM 0 HE3 LYS A 35 15.127 -1.504 4.613 1.00 14.52 H new ATOM 0 HZ1 LYS A 35 15.109 -2.433 6.834 1.00 31.23 H new ATOM 0 HZ2 LYS A 35 16.255 -1.183 6.737 1.00 31.23 H new ATOM 0 HZ3 LYS A 35 14.766 -0.913 7.509 1.00 31.23 H new ATOM 547 N ASP A 36 11.826 0.220 0.834 1.00 44.33 N ATOM 548 CA ASP A 36 12.118 -0.030 -0.579 1.00 23.42 C ATOM 549 C ASP A 36 11.620 1.151 -1.435 1.00 24.44 C ATOM 550 O ASP A 36 12.299 1.594 -2.366 1.00 51.53 O ATOM 551 CB ASP A 36 11.464 -1.345 -1.032 1.00 4.43 C ATOM 552 CG ASP A 36 11.799 -1.695 -2.471 1.00 10.41 C ATOM 553 OD1 ASP A 36 13.000 -1.853 -2.782 1.00 12.33 O ATOM 554 OD2 ASP A 36 10.871 -1.824 -3.294 1.00 14.35 O ATOM 0 H ASP A 36 11.198 -0.461 1.261 1.00 44.33 H new ATOM 0 HA ASP A 36 13.196 -0.123 -0.710 1.00 23.42 H new ATOM 0 HB2 ASP A 36 11.792 -2.154 -0.379 1.00 4.43 H new ATOM 0 HB3 ASP A 36 10.382 -1.266 -0.923 1.00 4.43 H new ATOM 559 N LEU A 37 10.437 1.667 -1.091 1.00 2.42 N ATOM 560 CA LEU A 37 9.901 2.878 -1.725 1.00 74.53 C ATOM 561 C LEU A 37 10.880 4.052 -1.603 1.00 21.14 C ATOM 562 O LEU A 37 11.142 4.746 -2.581 1.00 24.15 O ATOM 563 CB LEU A 37 8.553 3.267 -1.107 1.00 13.45 C ATOM 564 CG LEU A 37 7.399 2.290 -1.370 1.00 65.10 C ATOM 565 CD1 LEU A 37 6.102 2.816 -0.757 1.00 72.25 C ATOM 566 CD2 LEU A 37 7.234 2.048 -2.868 1.00 33.05 C ATOM 0 H LEU A 37 9.830 1.266 -0.376 1.00 2.42 H new ATOM 0 HA LEU A 37 9.757 2.653 -2.782 1.00 74.53 H new ATOM 0 HB2 LEU A 37 8.683 3.367 -0.029 1.00 13.45 H new ATOM 0 HB3 LEU A 37 8.269 4.248 -1.487 1.00 13.45 H new ATOM 0 HG LEU A 37 7.637 1.337 -0.896 1.00 65.10 H new ATOM 0 HD11 LEU A 37 5.295 2.111 -0.953 1.00 72.25 H new ATOM 0 HD12 LEU A 37 6.229 2.932 0.319 1.00 72.25 H new ATOM 0 HD13 LEU A 37 5.856 3.781 -1.199 1.00 72.25 H new ATOM 0 HD21 LEU A 37 6.411 1.353 -3.036 1.00 33.05 H new ATOM 0 HD22 LEU A 37 7.019 2.993 -3.368 1.00 33.05 H new ATOM 0 HD23 LEU A 37 8.154 1.626 -3.272 1.00 33.05 H new ATOM 578 N LYS A 38 11.417 4.266 -0.399 1.00 14.43 N ATOM 579 CA LYS A 38 12.420 5.318 -0.177 1.00 4.13 C ATOM 580 C LYS A 38 13.579 5.198 -1.176 1.00 52.13 C ATOM 581 O LYS A 38 14.044 6.194 -1.731 1.00 51.11 O ATOM 582 CB LYS A 38 12.984 5.245 1.247 1.00 5.43 C ATOM 583 CG LYS A 38 11.960 5.494 2.348 1.00 71.45 C ATOM 584 CD LYS A 38 12.624 5.496 3.723 1.00 64.23 C ATOM 585 CE LYS A 38 11.639 5.815 4.842 1.00 21.22 C ATOM 586 NZ LYS A 38 12.333 5.992 6.146 1.00 40.21 N ATOM 0 H LYS A 38 11.178 3.729 0.435 1.00 14.43 H new ATOM 0 HA LYS A 38 11.919 6.275 -0.321 1.00 4.13 H new ATOM 0 HB2 LYS A 38 13.428 4.261 1.398 1.00 5.43 H new ATOM 0 HB3 LYS A 38 13.787 5.976 1.344 1.00 5.43 H new ATOM 0 HG2 LYS A 38 11.464 6.450 2.179 1.00 71.45 H new ATOM 0 HG3 LYS A 38 11.189 4.724 2.314 1.00 71.45 H new ATOM 0 HD2 LYS A 38 13.076 4.521 3.907 1.00 64.23 H new ATOM 0 HD3 LYS A 38 13.431 6.229 3.733 1.00 64.23 H new ATOM 0 HE2 LYS A 38 11.089 6.723 4.596 1.00 21.22 H new ATOM 0 HE3 LYS A 38 10.907 5.011 4.924 1.00 21.22 H new ATOM 0 HZ1 LYS A 38 11.640 6.258 6.875 1.00 40.21 H new ATOM 0 HZ2 LYS A 38 12.796 5.101 6.417 1.00 40.21 H new ATOM 0 HZ3 LYS A 38 13.049 6.741 6.059 1.00 40.21 H new ATOM 600 N SER A 39 14.038 3.966 -1.388 1.00 62.45 N ATOM 601 CA SER A 39 15.150 3.695 -2.308 1.00 42.24 C ATOM 602 C SER A 39 14.744 3.901 -3.773 1.00 10.31 C ATOM 603 O SER A 39 15.551 4.332 -4.595 1.00 53.42 O ATOM 604 CB SER A 39 15.669 2.265 -2.111 1.00 62.24 C ATOM 605 OG SER A 39 16.746 1.983 -2.990 1.00 71.04 O ATOM 0 H SER A 39 13.658 3.135 -0.935 1.00 62.45 H new ATOM 0 HA SER A 39 15.943 4.406 -2.076 1.00 42.24 H new ATOM 0 HB2 SER A 39 15.994 2.133 -1.079 1.00 62.24 H new ATOM 0 HB3 SER A 39 14.860 1.555 -2.284 1.00 62.24 H new ATOM 0 HG SER A 39 17.058 1.066 -2.842 1.00 71.04 H new ATOM 611 N GLN A 40 13.492 3.586 -4.098 1.00 22.15 N ATOM 612 CA GLN A 40 12.982 3.735 -5.469 1.00 44.33 C ATOM 613 C GLN A 40 12.690 5.205 -5.823 1.00 44.15 C ATOM 614 O GLN A 40 12.983 5.657 -6.930 1.00 61.22 O ATOM 615 CB GLN A 40 11.715 2.887 -5.656 1.00 55.22 C ATOM 616 CG GLN A 40 11.965 1.383 -5.560 1.00 25.52 C ATOM 617 CD GLN A 40 10.706 0.548 -5.757 1.00 40.32 C ATOM 618 OE1 GLN A 40 10.758 -0.551 -6.301 1.00 35.11 O ATOM 619 NE2 GLN A 40 9.572 1.049 -5.305 1.00 35.25 N ATOM 0 H GLN A 40 12.807 3.225 -3.433 1.00 22.15 H new ATOM 0 HA GLN A 40 13.761 3.384 -6.146 1.00 44.33 H new ATOM 0 HB2 GLN A 40 10.982 3.174 -4.902 1.00 55.22 H new ATOM 0 HB3 GLN A 40 11.277 3.113 -6.628 1.00 55.22 H new ATOM 0 HG2 GLN A 40 12.703 1.096 -6.309 1.00 25.52 H new ATOM 0 HG3 GLN A 40 12.395 1.155 -4.585 1.00 25.52 H new ATOM 0 HE21 GLN A 40 9.562 1.965 -4.857 1.00 35.25 H new ATOM 0 HE22 GLN A 40 8.706 0.520 -5.403 1.00 35.25 H new ATOM 628 N LEU A 41 12.112 5.941 -4.879 1.00 45.13 N ATOM 629 CA LEU A 41 11.766 7.353 -5.091 1.00 11.42 C ATOM 630 C LEU A 41 12.997 8.273 -5.026 1.00 61.33 C ATOM 631 O LEU A 41 13.044 9.295 -5.706 1.00 61.31 O ATOM 632 CB LEU A 41 10.727 7.804 -4.053 1.00 54.33 C ATOM 633 CG LEU A 41 9.378 7.067 -4.110 1.00 23.30 C ATOM 634 CD1 LEU A 41 8.441 7.561 -3.010 1.00 12.34 C ATOM 635 CD2 LEU A 41 8.731 7.231 -5.483 1.00 63.01 C ATOM 0 H LEU A 41 11.870 5.586 -3.954 1.00 45.13 H new ATOM 0 HA LEU A 41 11.348 7.434 -6.094 1.00 11.42 H new ATOM 0 HB2 LEU A 41 11.152 7.674 -3.058 1.00 54.33 H new ATOM 0 HB3 LEU A 41 10.545 8.871 -4.185 1.00 54.33 H new ATOM 0 HG LEU A 41 9.565 6.006 -3.944 1.00 23.30 H new ATOM 0 HD11 LEU A 41 7.494 7.025 -3.071 1.00 12.34 H new ATOM 0 HD12 LEU A 41 8.897 7.382 -2.036 1.00 12.34 H new ATOM 0 HD13 LEU A 41 8.262 8.629 -3.137 1.00 12.34 H new ATOM 0 HD21 LEU A 41 7.778 6.702 -5.502 1.00 63.01 H new ATOM 0 HD22 LEU A 41 8.563 8.289 -5.682 1.00 63.01 H new ATOM 0 HD23 LEU A 41 9.390 6.819 -6.247 1.00 63.01 H new ATOM 647 N GLN A 42 13.992 7.897 -4.218 1.00 64.41 N ATOM 648 CA GLN A 42 15.185 8.735 -3.994 1.00 44.00 C ATOM 649 C GLN A 42 15.857 9.220 -5.305 1.00 3.13 C ATOM 650 O GLN A 42 16.100 10.417 -5.457 1.00 20.51 O ATOM 651 CB GLN A 42 16.204 7.990 -3.115 1.00 43.14 C ATOM 652 CG GLN A 42 17.493 8.767 -2.861 1.00 32.32 C ATOM 653 CD GLN A 42 18.485 8.000 -2.002 1.00 60.14 C ATOM 654 OE1 GLN A 42 18.532 6.773 -2.022 1.00 54.42 O ATOM 655 NE2 GLN A 42 19.287 8.716 -1.240 1.00 44.42 N ATOM 0 H GLN A 42 14.000 7.016 -3.704 1.00 64.41 H new ATOM 0 HA GLN A 42 14.838 9.630 -3.479 1.00 44.00 H new ATOM 0 HB2 GLN A 42 15.739 7.756 -2.157 1.00 43.14 H new ATOM 0 HB3 GLN A 42 16.452 7.041 -3.590 1.00 43.14 H new ATOM 0 HG2 GLN A 42 17.959 9.011 -3.816 1.00 32.32 H new ATOM 0 HG3 GLN A 42 17.252 9.712 -2.374 1.00 32.32 H new ATOM 0 HE21 GLN A 42 19.222 9.734 -1.247 1.00 44.42 H new ATOM 0 HE22 GLN A 42 19.972 8.252 -0.644 1.00 44.42 H new ATOM 664 N PRO A 43 16.173 8.323 -6.274 1.00 10.10 N ATOM 665 CA PRO A 43 16.819 8.731 -7.540 1.00 55.04 C ATOM 666 C PRO A 43 15.925 9.636 -8.411 1.00 63.03 C ATOM 667 O PRO A 43 16.387 10.230 -9.388 1.00 41.51 O ATOM 668 CB PRO A 43 17.096 7.397 -8.262 1.00 43.22 C ATOM 669 CG PRO A 43 16.969 6.346 -7.208 1.00 3.51 C ATOM 670 CD PRO A 43 15.948 6.867 -6.236 1.00 11.23 C ATOM 0 HA PRO A 43 17.714 9.323 -7.351 1.00 55.04 H new ATOM 0 HB2 PRO A 43 16.384 7.232 -9.070 1.00 43.22 H new ATOM 0 HB3 PRO A 43 18.091 7.390 -8.707 1.00 43.22 H new ATOM 0 HG2 PRO A 43 16.651 5.396 -7.638 1.00 3.51 H new ATOM 0 HG3 PRO A 43 17.925 6.169 -6.715 1.00 3.51 H new ATOM 0 HD2 PRO A 43 14.933 6.607 -6.537 1.00 11.23 H new ATOM 0 HD3 PRO A 43 16.098 6.461 -5.236 1.00 11.23 H new ATOM 678 N ILE A 44 14.642 9.722 -8.063 1.00 21.20 N ATOM 679 CA ILE A 44 13.682 10.542 -8.815 1.00 24.04 C ATOM 680 C ILE A 44 13.438 11.898 -8.132 1.00 71.30 C ATOM 681 O ILE A 44 13.522 12.952 -8.766 1.00 63.30 O ATOM 682 CB ILE A 44 12.327 9.801 -8.969 1.00 63.52 C ATOM 683 CG1 ILE A 44 12.542 8.425 -9.623 1.00 34.41 C ATOM 684 CG2 ILE A 44 11.335 10.639 -9.778 1.00 30.12 C ATOM 685 CD1 ILE A 44 11.275 7.603 -9.752 1.00 32.12 C ATOM 0 H ILE A 44 14.238 9.234 -7.263 1.00 21.20 H new ATOM 0 HA ILE A 44 14.117 10.718 -9.799 1.00 24.04 H new ATOM 0 HB ILE A 44 11.904 9.649 -7.976 1.00 63.52 H new ATOM 0 HG12 ILE A 44 12.974 8.568 -10.614 1.00 34.41 H new ATOM 0 HG13 ILE A 44 13.269 7.864 -9.036 1.00 34.41 H new ATOM 0 HG21 ILE A 44 10.393 10.098 -9.872 1.00 30.12 H new ATOM 0 HG22 ILE A 44 11.160 11.587 -9.269 1.00 30.12 H new ATOM 0 HG23 ILE A 44 11.744 10.830 -10.770 1.00 30.12 H new ATOM 0 HD11 ILE A 44 11.508 6.647 -10.222 1.00 32.12 H new ATOM 0 HD12 ILE A 44 10.853 7.428 -8.763 1.00 32.12 H new ATOM 0 HD13 ILE A 44 10.552 8.142 -10.365 1.00 32.12 H new ATOM 697 N THR A 45 13.139 11.857 -6.838 1.00 25.34 N ATOM 698 CA THR A 45 12.794 13.059 -6.067 1.00 72.34 C ATOM 699 C THR A 45 14.030 13.733 -5.447 1.00 74.23 C ATOM 700 O THR A 45 13.968 14.893 -5.038 1.00 61.43 O ATOM 701 CB THR A 45 11.797 12.714 -4.937 1.00 50.45 C ATOM 702 OG1 THR A 45 12.381 11.744 -4.054 1.00 2.00 O ATOM 703 CG2 THR A 45 10.495 12.160 -5.511 1.00 65.32 C ATOM 0 H THR A 45 13.127 10.996 -6.291 1.00 25.34 H new ATOM 0 HA THR A 45 12.339 13.756 -6.771 1.00 72.34 H new ATOM 0 HB THR A 45 11.574 13.628 -4.386 1.00 50.45 H new ATOM 0 HG1 THR A 45 12.474 10.889 -4.523 1.00 2.00 H new ATOM 0 HG21 THR A 45 9.810 11.925 -4.697 1.00 65.32 H new ATOM 0 HG22 THR A 45 10.040 12.904 -6.165 1.00 65.32 H new ATOM 0 HG23 THR A 45 10.705 11.255 -6.082 1.00 65.32 H new ATOM 711 N ASN A 46 15.138 12.990 -5.367 1.00 2.43 N ATOM 712 CA ASN A 46 16.421 13.508 -4.852 1.00 75.43 C ATOM 713 C ASN A 46 16.392 13.787 -3.336 1.00 73.41 C ATOM 714 O ASN A 46 17.260 14.486 -2.810 1.00 60.13 O ATOM 715 CB ASN A 46 16.839 14.769 -5.620 1.00 44.12 C ATOM 716 CG ASN A 46 17.031 14.500 -7.102 1.00 24.50 C ATOM 717 OD1 ASN A 46 17.455 13.419 -7.503 1.00 33.42 O ATOM 718 ND2 ASN A 46 16.717 15.478 -7.929 1.00 41.13 N ATOM 0 H ASN A 46 15.177 12.012 -5.656 1.00 2.43 H new ATOM 0 HA ASN A 46 17.161 12.724 -5.013 1.00 75.43 H new ATOM 0 HB2 ASN A 46 16.081 15.541 -5.488 1.00 44.12 H new ATOM 0 HB3 ASN A 46 17.767 15.158 -5.200 1.00 44.12 H new ATOM 0 HD21 ASN A 46 16.824 15.349 -8.935 1.00 41.13 H new ATOM 0 HD22 ASN A 46 16.367 16.363 -7.562 1.00 41.13 H new ATOM 725 N VAL A 47 15.407 13.229 -2.635 1.00 32.04 N ATOM 726 CA VAL A 47 15.325 13.359 -1.172 1.00 13.12 C ATOM 727 C VAL A 47 15.870 12.097 -0.464 1.00 25.20 C ATOM 728 O VAL A 47 15.717 10.978 -0.955 1.00 1.43 O ATOM 729 CB VAL A 47 13.867 13.638 -0.713 1.00 51.10 C ATOM 730 CG1 VAL A 47 12.931 12.514 -1.147 1.00 42.35 C ATOM 731 CG2 VAL A 47 13.794 13.854 0.799 1.00 14.12 C ATOM 0 H VAL A 47 14.653 12.682 -3.051 1.00 32.04 H new ATOM 0 HA VAL A 47 15.946 14.209 -0.889 1.00 13.12 H new ATOM 0 HB VAL A 47 13.538 14.557 -1.198 1.00 51.10 H new ATOM 0 HG11 VAL A 47 11.917 12.735 -0.813 1.00 42.35 H new ATOM 0 HG12 VAL A 47 12.944 12.429 -2.234 1.00 42.35 H new ATOM 0 HG13 VAL A 47 13.262 11.574 -0.705 1.00 42.35 H new ATOM 0 HG21 VAL A 47 12.761 14.047 1.090 1.00 14.12 H new ATOM 0 HG22 VAL A 47 14.155 12.962 1.312 1.00 14.12 H new ATOM 0 HG23 VAL A 47 14.414 14.707 1.075 1.00 14.12 H new ATOM 741 N LEU A 48 16.508 12.289 0.691 1.00 11.15 N ATOM 742 CA LEU A 48 17.146 11.183 1.422 1.00 42.14 C ATOM 743 C LEU A 48 16.122 10.318 2.186 1.00 53.11 C ATOM 744 O LEU A 48 15.101 10.820 2.663 1.00 52.34 O ATOM 745 CB LEU A 48 18.193 11.738 2.397 1.00 51.10 C ATOM 746 CG LEU A 48 19.359 12.504 1.746 1.00 35.42 C ATOM 747 CD1 LEU A 48 20.332 13.010 2.808 1.00 3.31 C ATOM 748 CD2 LEU A 48 20.083 11.630 0.720 1.00 54.31 C ATOM 0 H LEU A 48 16.599 13.198 1.144 1.00 11.15 H new ATOM 0 HA LEU A 48 17.628 10.540 0.685 1.00 42.14 H new ATOM 0 HB2 LEU A 48 17.693 12.402 3.102 1.00 51.10 H new ATOM 0 HB3 LEU A 48 18.602 10.909 2.975 1.00 51.10 H new ATOM 0 HG LEU A 48 18.946 13.366 1.222 1.00 35.42 H new ATOM 0 HD11 LEU A 48 21.148 13.548 2.327 1.00 3.31 H new ATOM 0 HD12 LEU A 48 19.809 13.679 3.491 1.00 3.31 H new ATOM 0 HD13 LEU A 48 20.734 12.164 3.366 1.00 3.31 H new ATOM 0 HD21 LEU A 48 20.902 12.194 0.275 1.00 54.31 H new ATOM 0 HD22 LEU A 48 20.480 10.743 1.213 1.00 54.31 H new ATOM 0 HD23 LEU A 48 19.384 11.329 -0.060 1.00 54.31 H new ATOM 760 N PRO A 49 16.398 8.997 2.333 1.00 63.43 N ATOM 761 CA PRO A 49 15.488 8.053 3.021 1.00 22.13 C ATOM 762 C PRO A 49 15.146 8.465 4.466 1.00 14.15 C ATOM 763 O PRO A 49 14.105 8.072 5.003 1.00 13.20 O ATOM 764 CB PRO A 49 16.262 6.719 3.003 1.00 70.44 C ATOM 765 CG PRO A 49 17.679 7.091 2.708 1.00 21.31 C ATOM 766 CD PRO A 49 17.609 8.313 1.837 1.00 52.21 C ATOM 0 HA PRO A 49 14.520 8.010 2.522 1.00 22.13 H new ATOM 0 HB2 PRO A 49 16.181 6.204 3.960 1.00 70.44 H new ATOM 0 HB3 PRO A 49 15.866 6.044 2.244 1.00 70.44 H new ATOM 0 HG2 PRO A 49 18.229 7.297 3.627 1.00 21.31 H new ATOM 0 HG3 PRO A 49 18.199 6.278 2.201 1.00 21.31 H new ATOM 0 HD2 PRO A 49 18.497 8.936 1.942 1.00 52.21 H new ATOM 0 HD3 PRO A 49 17.524 8.054 0.782 1.00 52.21 H new ATOM 774 N ARG A 50 16.024 9.253 5.089 1.00 60.34 N ATOM 775 CA ARG A 50 15.782 9.769 6.444 1.00 45.22 C ATOM 776 C ARG A 50 14.693 10.855 6.444 1.00 32.33 C ATOM 777 O ARG A 50 13.881 10.932 7.368 1.00 21.10 O ATOM 778 CB ARG A 50 17.083 10.331 7.041 1.00 72.31 C ATOM 779 CG ARG A 50 16.911 10.957 8.428 1.00 64.45 C ATOM 780 CD ARG A 50 18.239 11.417 9.020 1.00 25.43 C ATOM 781 NE ARG A 50 19.143 10.298 9.281 1.00 22.21 N ATOM 782 CZ ARG A 50 20.331 10.423 9.799 1.00 52.21 C ATOM 783 NH1 ARG A 50 20.806 11.594 10.089 1.00 73.24 N ATOM 784 NH2 ARG A 50 21.048 9.369 10.025 1.00 4.54 N ATOM 0 H ARG A 50 16.910 9.550 4.680 1.00 60.34 H new ATOM 0 HA ARG A 50 15.433 8.939 7.059 1.00 45.22 H new ATOM 0 HB2 ARG A 50 17.818 9.529 7.104 1.00 72.31 H new ATOM 0 HB3 ARG A 50 17.488 11.082 6.362 1.00 72.31 H new ATOM 0 HG2 ARG A 50 16.232 11.807 8.360 1.00 64.45 H new ATOM 0 HG3 ARG A 50 16.448 10.232 9.097 1.00 64.45 H new ATOM 0 HD2 ARG A 50 18.718 12.117 8.335 1.00 25.43 H new ATOM 0 HD3 ARG A 50 18.054 11.957 9.949 1.00 25.43 H new ATOM 0 HE ARG A 50 18.823 9.360 9.042 1.00 22.21 H new ATOM 0 HH11 ARG A 50 20.248 12.429 9.912 1.00 73.24 H new ATOM 0 HH12 ARG A 50 21.738 11.680 10.495 1.00 73.24 H new ATOM 0 HH21 ARG A 50 20.682 8.445 9.797 1.00 4.54 H new ATOM 0 HH22 ARG A 50 21.979 9.463 10.431 1.00 4.54 H new ATOM 798 N GLY A 51 14.680 11.687 5.403 1.00 0.43 N ATOM 799 CA GLY A 51 13.699 12.767 5.311 1.00 1.15 C ATOM 800 C GLY A 51 12.346 12.307 4.775 1.00 32.41 C ATOM 801 O GLY A 51 11.328 12.965 4.994 1.00 45.44 O ATOM 0 H GLY A 51 15.331 11.635 4.619 1.00 0.43 H new ATOM 0 HA2 GLY A 51 13.560 13.208 6.298 1.00 1.15 H new ATOM 0 HA3 GLY A 51 14.091 13.551 4.664 1.00 1.15 H new ATOM 805 N GLN A 52 12.336 11.180 4.068 1.00 52.00 N ATOM 806 CA GLN A 52 11.100 10.634 3.496 1.00 54.25 C ATOM 807 C GLN A 52 10.174 10.042 4.572 1.00 62.45 C ATOM 808 O GLN A 52 10.284 8.868 4.933 1.00 11.53 O ATOM 809 CB GLN A 52 11.426 9.576 2.425 1.00 34.24 C ATOM 810 CG GLN A 52 12.050 10.161 1.165 1.00 31.31 C ATOM 811 CD GLN A 52 12.337 9.117 0.097 1.00 21.23 C ATOM 812 OE1 GLN A 52 11.480 8.792 -0.714 1.00 33.43 O ATOM 813 NE2 GLN A 52 13.552 8.605 0.070 1.00 44.13 N ATOM 0 H GLN A 52 13.169 10.624 3.875 1.00 52.00 H new ATOM 0 HA GLN A 52 10.565 11.462 3.030 1.00 54.25 H new ATOM 0 HB2 GLN A 52 12.107 8.838 2.850 1.00 34.24 H new ATOM 0 HB3 GLN A 52 10.511 9.048 2.157 1.00 34.24 H new ATOM 0 HG2 GLN A 52 11.381 10.917 0.754 1.00 31.31 H new ATOM 0 HG3 GLN A 52 12.979 10.666 1.429 1.00 31.31 H new ATOM 0 HE21 GLN A 52 14.244 8.897 0.760 1.00 44.13 H new ATOM 0 HE22 GLN A 52 13.800 7.917 -0.641 1.00 44.13 H new ATOM 822 N LYS A 53 9.281 10.873 5.103 1.00 53.14 N ATOM 823 CA LYS A 53 8.250 10.415 6.042 1.00 42.20 C ATOM 824 C LYS A 53 6.973 9.990 5.297 1.00 54.54 C ATOM 825 O LYS A 53 6.201 10.836 4.842 1.00 13.40 O ATOM 826 CB LYS A 53 7.905 11.518 7.055 1.00 31.22 C ATOM 827 CG LYS A 53 9.027 11.849 8.033 1.00 24.31 C ATOM 828 CD LYS A 53 8.588 12.910 9.043 1.00 60.31 C ATOM 829 CE LYS A 53 9.669 13.193 10.085 1.00 64.15 C ATOM 830 NZ LYS A 53 9.211 14.159 11.125 1.00 23.51 N ATOM 0 H LYS A 53 9.247 11.872 4.900 1.00 53.14 H new ATOM 0 HA LYS A 53 8.653 9.553 6.574 1.00 42.20 H new ATOM 0 HB2 LYS A 53 7.636 12.423 6.510 1.00 31.22 H new ATOM 0 HB3 LYS A 53 7.025 11.212 7.621 1.00 31.22 H new ATOM 0 HG2 LYS A 53 9.331 10.945 8.561 1.00 24.31 H new ATOM 0 HG3 LYS A 53 9.898 12.205 7.483 1.00 24.31 H new ATOM 0 HD2 LYS A 53 8.343 13.832 8.516 1.00 60.31 H new ATOM 0 HD3 LYS A 53 7.679 12.578 9.545 1.00 60.31 H new ATOM 0 HE2 LYS A 53 9.963 12.259 10.564 1.00 64.15 H new ATOM 0 HE3 LYS A 53 10.555 13.589 9.589 1.00 64.15 H new ATOM 0 HZ1 LYS A 53 9.977 14.321 11.810 1.00 23.51 H new ATOM 0 HZ2 LYS A 53 8.955 15.060 10.673 1.00 23.51 H new ATOM 0 HZ3 LYS A 53 8.382 13.771 11.618 1.00 23.51 H new ATOM 844 N LEU A 54 6.768 8.683 5.161 1.00 42.14 N ATOM 845 CA LEU A 54 5.558 8.149 4.527 1.00 13.15 C ATOM 846 C LEU A 54 4.425 7.982 5.555 1.00 35.25 C ATOM 847 O LEU A 54 4.485 7.118 6.427 1.00 33.50 O ATOM 848 CB LEU A 54 5.864 6.805 3.847 1.00 62.43 C ATOM 849 CG LEU A 54 6.838 6.883 2.658 1.00 20.30 C ATOM 850 CD1 LEU A 54 7.156 5.491 2.121 1.00 63.15 C ATOM 851 CD2 LEU A 54 6.261 7.762 1.550 1.00 40.44 C ATOM 0 H LEU A 54 7.423 7.970 5.481 1.00 42.14 H new ATOM 0 HA LEU A 54 5.227 8.861 3.771 1.00 13.15 H new ATOM 0 HB2 LEU A 54 6.277 6.124 4.591 1.00 62.43 H new ATOM 0 HB3 LEU A 54 4.927 6.368 3.501 1.00 62.43 H new ATOM 0 HG LEU A 54 7.767 7.332 3.011 1.00 20.30 H new ATOM 0 HD11 LEU A 54 7.846 5.574 1.281 1.00 63.15 H new ATOM 0 HD12 LEU A 54 7.613 4.893 2.909 1.00 63.15 H new ATOM 0 HD13 LEU A 54 6.236 5.010 1.788 1.00 63.15 H new ATOM 0 HD21 LEU A 54 6.963 7.806 0.717 1.00 40.44 H new ATOM 0 HD22 LEU A 54 5.316 7.341 1.206 1.00 40.44 H new ATOM 0 HD23 LEU A 54 6.091 8.768 1.935 1.00 40.44 H new ATOM 863 N ILE A 55 3.399 8.825 5.453 1.00 54.33 N ATOM 864 CA ILE A 55 2.264 8.790 6.383 1.00 1.44 C ATOM 865 C ILE A 55 0.955 8.451 5.648 1.00 14.03 C ATOM 866 O ILE A 55 0.686 8.978 4.566 1.00 34.13 O ATOM 867 CB ILE A 55 2.109 10.151 7.112 1.00 41.43 C ATOM 868 CG1 ILE A 55 3.448 10.568 7.757 1.00 23.43 C ATOM 869 CG2 ILE A 55 1.002 10.075 8.167 1.00 33.34 C ATOM 870 CD1 ILE A 55 3.422 11.931 8.424 1.00 2.20 C ATOM 0 H ILE A 55 3.327 9.545 4.734 1.00 54.33 H new ATOM 0 HA ILE A 55 2.467 8.011 7.117 1.00 1.44 H new ATOM 0 HB ILE A 55 1.828 10.907 6.379 1.00 41.43 H new ATOM 0 HG12 ILE A 55 3.730 9.819 8.497 1.00 23.43 H new ATOM 0 HG13 ILE A 55 4.223 10.566 6.991 1.00 23.43 H new ATOM 0 HG21 ILE A 55 0.909 11.039 8.667 1.00 33.34 H new ATOM 0 HG22 ILE A 55 0.057 9.823 7.685 1.00 33.34 H new ATOM 0 HG23 ILE A 55 1.251 9.308 8.901 1.00 33.34 H new ATOM 0 HD11 ILE A 55 4.402 12.146 8.851 1.00 2.20 H new ATOM 0 HD12 ILE A 55 3.173 12.693 7.685 1.00 2.20 H new ATOM 0 HD13 ILE A 55 2.672 11.935 9.215 1.00 2.20 H new ATOM 882 N PHE A 56 0.150 7.564 6.239 1.00 31.13 N ATOM 883 CA PHE A 56 -1.130 7.152 5.646 1.00 15.15 C ATOM 884 C PHE A 56 -2.135 6.720 6.730 1.00 22.50 C ATOM 885 O PHE A 56 -1.811 5.909 7.603 1.00 3.33 O ATOM 886 CB PHE A 56 -0.896 6.006 4.648 1.00 2.34 C ATOM 887 CG PHE A 56 -2.148 5.508 3.965 1.00 32.33 C ATOM 888 CD1 PHE A 56 -2.897 6.349 3.154 1.00 20.41 C ATOM 889 CD2 PHE A 56 -2.565 4.192 4.122 1.00 44.12 C ATOM 890 CE1 PHE A 56 -4.034 5.889 2.515 1.00 42.30 C ATOM 891 CE2 PHE A 56 -3.701 3.730 3.488 1.00 64.10 C ATOM 892 CZ PHE A 56 -4.436 4.578 2.684 1.00 12.45 C ATOM 0 H PHE A 56 0.361 7.115 7.130 1.00 31.13 H new ATOM 0 HA PHE A 56 -1.555 8.007 5.120 1.00 15.15 H new ATOM 0 HB2 PHE A 56 -0.191 6.341 3.888 1.00 2.34 H new ATOM 0 HB3 PHE A 56 -0.427 5.173 5.173 1.00 2.34 H new ATOM 0 HD1 PHE A 56 -2.588 7.375 3.020 1.00 20.41 H new ATOM 0 HD2 PHE A 56 -1.994 3.522 4.748 1.00 44.12 H new ATOM 0 HE1 PHE A 56 -4.607 6.553 1.885 1.00 42.30 H new ATOM 0 HE2 PHE A 56 -4.015 2.705 3.621 1.00 64.10 H new ATOM 0 HZ PHE A 56 -5.325 4.217 2.188 1.00 12.45 H new ATOM 902 N LYS A 57 -3.347 7.286 6.682 1.00 72.35 N ATOM 903 CA LYS A 57 -4.421 6.952 7.634 1.00 41.12 C ATOM 904 C LYS A 57 -3.997 7.193 9.096 1.00 32.04 C ATOM 905 O LYS A 57 -4.492 6.534 10.014 1.00 11.23 O ATOM 906 CB LYS A 57 -4.877 5.493 7.441 1.00 23.53 C ATOM 907 CG LYS A 57 -5.592 5.236 6.117 1.00 61.02 C ATOM 908 CD LYS A 57 -6.909 6.005 6.018 1.00 65.10 C ATOM 909 CE LYS A 57 -7.614 5.751 4.689 1.00 45.15 C ATOM 910 NZ LYS A 57 -8.892 6.508 4.579 1.00 11.42 N ATOM 0 H LYS A 57 -3.613 7.984 5.988 1.00 72.35 H new ATOM 0 HA LYS A 57 -5.258 7.618 7.424 1.00 41.12 H new ATOM 0 HB2 LYS A 57 -4.007 4.840 7.505 1.00 23.53 H new ATOM 0 HB3 LYS A 57 -5.542 5.220 8.260 1.00 23.53 H new ATOM 0 HG2 LYS A 57 -4.941 5.524 5.292 1.00 61.02 H new ATOM 0 HG3 LYS A 57 -5.787 4.169 6.011 1.00 61.02 H new ATOM 0 HD2 LYS A 57 -7.564 5.712 6.839 1.00 65.10 H new ATOM 0 HD3 LYS A 57 -6.716 7.072 6.129 1.00 65.10 H new ATOM 0 HE2 LYS A 57 -6.954 6.034 3.869 1.00 45.15 H new ATOM 0 HE3 LYS A 57 -7.814 4.685 4.583 1.00 45.15 H new ATOM 0 HZ1 LYS A 57 -9.337 6.306 3.661 1.00 11.42 H new ATOM 0 HZ2 LYS A 57 -9.533 6.220 5.346 1.00 11.42 H new ATOM 0 HZ3 LYS A 57 -8.699 7.527 4.653 1.00 11.42 H new ATOM 924 N GLY A 58 -3.091 8.149 9.306 1.00 14.53 N ATOM 925 CA GLY A 58 -2.655 8.494 10.659 1.00 14.03 C ATOM 926 C GLY A 58 -1.437 7.708 11.137 1.00 15.45 C ATOM 927 O GLY A 58 -0.880 8.006 12.195 1.00 45.51 O ATOM 0 H GLY A 58 -2.649 8.693 8.565 1.00 14.53 H new ATOM 0 HA2 GLY A 58 -2.425 9.559 10.695 1.00 14.03 H new ATOM 0 HA3 GLY A 58 -3.480 8.322 11.351 1.00 14.03 H new ATOM 931 N LYS A 59 -1.020 6.697 10.376 1.00 75.44 N ATOM 932 CA LYS A 59 0.144 5.886 10.752 1.00 71.52 C ATOM 933 C LYS A 59 1.379 6.257 9.921 1.00 35.51 C ATOM 934 O LYS A 59 1.336 6.229 8.688 1.00 13.32 O ATOM 935 CB LYS A 59 -0.148 4.386 10.579 1.00 42.32 C ATOM 936 CG LYS A 59 1.024 3.489 10.994 1.00 34.12 C ATOM 937 CD LYS A 59 0.751 1.993 10.791 1.00 73.11 C ATOM 938 CE LYS A 59 0.801 1.567 9.322 1.00 71.15 C ATOM 939 NZ LYS A 59 -0.464 1.850 8.595 1.00 52.30 N ATOM 0 H LYS A 59 -1.465 6.419 9.501 1.00 75.44 H new ATOM 0 HA LYS A 59 0.349 6.095 11.802 1.00 71.52 H new ATOM 0 HB2 LYS A 59 -1.025 4.123 11.170 1.00 42.32 H new ATOM 0 HB3 LYS A 59 -0.396 4.189 9.536 1.00 42.32 H new ATOM 0 HG2 LYS A 59 1.907 3.770 10.421 1.00 34.12 H new ATOM 0 HG3 LYS A 59 1.255 3.669 12.044 1.00 34.12 H new ATOM 0 HD2 LYS A 59 1.484 1.416 11.355 1.00 73.11 H new ATOM 0 HD3 LYS A 59 -0.230 1.750 11.200 1.00 73.11 H new ATOM 0 HE2 LYS A 59 1.623 2.084 8.827 1.00 71.15 H new ATOM 0 HE3 LYS A 59 1.016 0.500 9.265 1.00 71.15 H new ATOM 0 HZ1 LYS A 59 -0.569 1.180 7.807 1.00 52.30 H new ATOM 0 HZ2 LYS A 59 -1.269 1.748 9.246 1.00 52.30 H new ATOM 0 HZ3 LYS A 59 -0.441 2.821 8.223 1.00 52.30 H new ATOM 953 N VAL A 60 2.471 6.610 10.599 1.00 72.12 N ATOM 954 CA VAL A 60 3.764 6.771 9.935 1.00 23.33 C ATOM 955 C VAL A 60 4.339 5.390 9.594 1.00 62.11 C ATOM 956 O VAL A 60 4.744 4.635 10.482 1.00 50.30 O ATOM 957 CB VAL A 60 4.773 7.557 10.814 1.00 72.40 C ATOM 958 CG1 VAL A 60 6.113 7.720 10.092 1.00 55.12 C ATOM 959 CG2 VAL A 60 4.196 8.917 11.211 1.00 22.41 C ATOM 0 H VAL A 60 2.486 6.789 11.603 1.00 72.12 H new ATOM 0 HA VAL A 60 3.603 7.346 9.023 1.00 23.33 H new ATOM 0 HB VAL A 60 4.951 6.985 11.725 1.00 72.40 H new ATOM 0 HG11 VAL A 60 6.804 8.274 10.728 1.00 55.12 H new ATOM 0 HG12 VAL A 60 6.530 6.737 9.873 1.00 55.12 H new ATOM 0 HG13 VAL A 60 5.960 8.265 9.161 1.00 55.12 H new ATOM 0 HG21 VAL A 60 4.918 9.453 11.827 1.00 22.41 H new ATOM 0 HG22 VAL A 60 3.983 9.498 10.314 1.00 22.41 H new ATOM 0 HG23 VAL A 60 3.275 8.771 11.776 1.00 22.41 H new ATOM 969 N LEU A 61 4.346 5.058 8.308 1.00 60.34 N ATOM 970 CA LEU A 61 4.751 3.728 7.841 1.00 63.00 C ATOM 971 C LEU A 61 6.150 3.322 8.345 1.00 23.33 C ATOM 972 O LEU A 61 7.160 3.921 7.976 1.00 2.15 O ATOM 973 CB LEU A 61 4.704 3.667 6.304 1.00 22.01 C ATOM 974 CG LEU A 61 3.301 3.506 5.673 1.00 40.45 C ATOM 975 CD1 LEU A 61 2.646 2.198 6.120 1.00 12.32 C ATOM 976 CD2 LEU A 61 2.403 4.699 6.000 1.00 52.40 C ATOM 0 H LEU A 61 4.074 5.696 7.560 1.00 60.34 H new ATOM 0 HA LEU A 61 4.041 3.014 8.259 1.00 63.00 H new ATOM 0 HB2 LEU A 61 5.155 4.578 5.910 1.00 22.01 H new ATOM 0 HB3 LEU A 61 5.326 2.835 5.974 1.00 22.01 H new ATOM 0 HG LEU A 61 3.430 3.471 4.591 1.00 40.45 H new ATOM 0 HD11 LEU A 61 1.661 2.109 5.662 1.00 12.32 H new ATOM 0 HD12 LEU A 61 3.266 1.356 5.812 1.00 12.32 H new ATOM 0 HD13 LEU A 61 2.543 2.195 7.205 1.00 12.32 H new ATOM 0 HD21 LEU A 61 1.425 4.554 5.542 1.00 52.40 H new ATOM 0 HD22 LEU A 61 2.289 4.783 7.081 1.00 52.40 H new ATOM 0 HD23 LEU A 61 2.854 5.612 5.611 1.00 52.40 H new ATOM 988 N VAL A 62 6.183 2.303 9.207 1.00 11.23 N ATOM 989 CA VAL A 62 7.443 1.725 9.692 1.00 54.54 C ATOM 990 C VAL A 62 8.228 1.094 8.531 1.00 2.44 C ATOM 991 O VAL A 62 7.638 0.453 7.661 1.00 63.43 O ATOM 992 CB VAL A 62 7.177 0.649 10.776 1.00 21.15 C ATOM 993 CG1 VAL A 62 8.486 0.105 11.355 1.00 64.22 C ATOM 994 CG2 VAL A 62 6.280 1.212 11.879 1.00 31.04 C ATOM 0 H VAL A 62 5.348 1.858 9.586 1.00 11.23 H new ATOM 0 HA VAL A 62 8.031 2.531 10.130 1.00 54.54 H new ATOM 0 HB VAL A 62 6.658 -0.185 10.304 1.00 21.15 H new ATOM 0 HG11 VAL A 62 8.264 -0.647 12.112 1.00 64.22 H new ATOM 0 HG12 VAL A 62 9.077 -0.346 10.558 1.00 64.22 H new ATOM 0 HG13 VAL A 62 9.050 0.920 11.808 1.00 64.22 H new ATOM 0 HG21 VAL A 62 6.103 0.444 12.632 1.00 31.04 H new ATOM 0 HG22 VAL A 62 6.768 2.069 12.343 1.00 31.04 H new ATOM 0 HG23 VAL A 62 5.328 1.525 11.450 1.00 31.04 H new ATOM 1004 N GLU A 63 9.553 1.262 8.521 1.00 64.12 N ATOM 1005 CA GLU A 63 10.387 0.772 7.409 1.00 75.22 C ATOM 1006 C GLU A 63 10.221 -0.742 7.174 1.00 41.20 C ATOM 1007 O GLU A 63 10.351 -1.222 6.048 1.00 44.33 O ATOM 1008 CB GLU A 63 11.868 1.104 7.648 1.00 34.23 C ATOM 1009 CG GLU A 63 12.146 2.594 7.830 1.00 40.11 C ATOM 1010 CD GLU A 63 13.619 2.945 7.671 1.00 41.12 C ATOM 1011 OE1 GLU A 63 14.466 2.311 8.335 1.00 70.02 O ATOM 1012 OE2 GLU A 63 13.935 3.857 6.873 1.00 64.41 O ATOM 0 H GLU A 63 10.073 1.730 9.263 1.00 64.12 H new ATOM 0 HA GLU A 63 10.043 1.286 6.511 1.00 75.22 H new ATOM 0 HB2 GLU A 63 12.212 0.569 8.533 1.00 34.23 H new ATOM 0 HB3 GLU A 63 12.453 0.735 6.806 1.00 34.23 H new ATOM 0 HG2 GLU A 63 11.562 3.159 7.103 1.00 40.11 H new ATOM 0 HG3 GLU A 63 11.809 2.903 8.819 1.00 40.11 H new ATOM 1019 N THR A 64 9.923 -1.483 8.240 1.00 63.35 N ATOM 1020 CA THR A 64 9.706 -2.937 8.154 1.00 24.14 C ATOM 1021 C THR A 64 8.269 -3.291 7.730 1.00 31.31 C ATOM 1022 O THR A 64 7.860 -4.454 7.801 1.00 72.41 O ATOM 1023 CB THR A 64 10.011 -3.628 9.504 1.00 24.22 C ATOM 1024 OG1 THR A 64 9.225 -3.037 10.556 1.00 1.42 O ATOM 1025 CG2 THR A 64 11.494 -3.522 9.844 1.00 45.50 C ATOM 0 H THR A 64 9.825 -1.103 9.181 1.00 63.35 H new ATOM 0 HA THR A 64 10.393 -3.299 7.389 1.00 24.14 H new ATOM 0 HB THR A 64 9.750 -4.682 9.412 1.00 24.22 H new ATOM 0 HG1 THR A 64 9.426 -3.484 11.405 1.00 1.42 H new ATOM 0 HG21 THR A 64 11.685 -4.015 10.797 1.00 45.50 H new ATOM 0 HG22 THR A 64 12.082 -4.004 9.062 1.00 45.50 H new ATOM 0 HG23 THR A 64 11.777 -2.472 9.916 1.00 45.50 H new ATOM 1033 N SER A 65 7.505 -2.295 7.285 1.00 22.03 N ATOM 1034 CA SER A 65 6.130 -2.519 6.803 1.00 50.35 C ATOM 1035 C SER A 65 6.028 -2.361 5.280 1.00 64.23 C ATOM 1036 O SER A 65 6.716 -1.533 4.679 1.00 21.22 O ATOM 1037 CB SER A 65 5.150 -1.545 7.474 1.00 1.35 C ATOM 1038 OG SER A 65 3.827 -1.710 6.975 1.00 1.43 O ATOM 0 H SER A 65 7.809 -1.322 7.245 1.00 22.03 H new ATOM 0 HA SER A 65 5.867 -3.543 7.066 1.00 50.35 H new ATOM 0 HB2 SER A 65 5.156 -1.706 8.552 1.00 1.35 H new ATOM 0 HB3 SER A 65 5.479 -0.520 7.303 1.00 1.35 H new ATOM 0 HG SER A 65 3.227 -1.077 7.423 1.00 1.43 H new ATOM 1044 N THR A 66 5.163 -3.159 4.661 1.00 51.22 N ATOM 1045 CA THR A 66 4.890 -3.043 3.221 1.00 70.13 C ATOM 1046 C THR A 66 3.566 -2.312 2.975 1.00 64.33 C ATOM 1047 O THR A 66 2.816 -2.029 3.915 1.00 51.23 O ATOM 1048 CB THR A 66 4.816 -4.431 2.531 1.00 64.22 C ATOM 1049 OG1 THR A 66 3.634 -5.137 2.943 1.00 41.12 O ATOM 1050 CG2 THR A 66 6.046 -5.272 2.857 1.00 3.44 C ATOM 0 H THR A 66 4.636 -3.896 5.129 1.00 51.22 H new ATOM 0 HA THR A 66 5.718 -2.477 2.794 1.00 70.13 H new ATOM 0 HB THR A 66 4.780 -4.262 1.455 1.00 64.22 H new ATOM 0 HG1 THR A 66 3.687 -6.068 2.641 1.00 41.12 H new ATOM 0 HG21 THR A 66 5.967 -6.239 2.361 1.00 3.44 H new ATOM 0 HG22 THR A 66 6.941 -4.757 2.509 1.00 3.44 H new ATOM 0 HG23 THR A 66 6.109 -5.422 3.935 1.00 3.44 H new ATOM 1058 N LEU A 67 3.273 -2.007 1.712 1.00 4.23 N ATOM 1059 CA LEU A 67 1.969 -1.431 1.352 1.00 55.31 C ATOM 1060 C LEU A 67 0.865 -2.466 1.600 1.00 33.10 C ATOM 1061 O LEU A 67 -0.211 -2.155 2.113 1.00 53.14 O ATOM 1062 CB LEU A 67 1.938 -0.986 -0.123 1.00 23.11 C ATOM 1063 CG LEU A 67 2.896 0.157 -0.516 1.00 5.43 C ATOM 1064 CD1 LEU A 67 2.734 1.354 0.418 1.00 65.40 C ATOM 1065 CD2 LEU A 67 4.347 -0.318 -0.543 1.00 13.34 C ATOM 0 H LEU A 67 3.909 -2.145 0.926 1.00 4.23 H new ATOM 0 HA LEU A 67 1.803 -0.552 1.974 1.00 55.31 H new ATOM 0 HB2 LEU A 67 2.165 -1.851 -0.746 1.00 23.11 H new ATOM 0 HB3 LEU A 67 0.921 -0.678 -0.365 1.00 23.11 H new ATOM 0 HG LEU A 67 2.631 0.476 -1.524 1.00 5.43 H new ATOM 0 HD11 LEU A 67 3.421 2.145 0.118 1.00 65.40 H new ATOM 0 HD12 LEU A 67 1.710 1.723 0.363 1.00 65.40 H new ATOM 0 HD13 LEU A 67 2.955 1.050 1.441 1.00 65.40 H new ATOM 0 HD21 LEU A 67 4.996 0.511 -0.823 1.00 13.34 H new ATOM 0 HD22 LEU A 67 4.629 -0.682 0.445 1.00 13.34 H new ATOM 0 HD23 LEU A 67 4.453 -1.123 -1.270 1.00 13.34 H new ATOM 1077 N LYS A 68 1.176 -3.709 1.245 1.00 52.14 N ATOM 1078 CA LYS A 68 0.278 -4.852 1.428 1.00 62.11 C ATOM 1079 C LYS A 68 -0.120 -5.028 2.906 1.00 32.34 C ATOM 1080 O LYS A 68 -1.287 -5.249 3.227 1.00 20.11 O ATOM 1081 CB LYS A 68 0.999 -6.106 0.918 1.00 53.11 C ATOM 1082 CG LYS A 68 0.132 -7.355 0.805 1.00 21.21 C ATOM 1083 CD LYS A 68 0.958 -8.531 0.287 1.00 15.24 C ATOM 1084 CE LYS A 68 0.110 -9.761 0.000 1.00 4.44 C ATOM 1085 NZ LYS A 68 0.938 -10.873 -0.532 1.00 32.12 N ATOM 0 H LYS A 68 2.068 -3.957 0.817 1.00 52.14 H new ATOM 0 HA LYS A 68 -0.642 -4.683 0.868 1.00 62.11 H new ATOM 0 HB2 LYS A 68 1.423 -5.888 -0.062 1.00 53.11 H new ATOM 0 HB3 LYS A 68 1.833 -6.322 1.585 1.00 53.11 H new ATOM 0 HG2 LYS A 68 -0.292 -7.601 1.779 1.00 21.21 H new ATOM 0 HG3 LYS A 68 -0.704 -7.165 0.132 1.00 21.21 H new ATOM 0 HD2 LYS A 68 1.478 -8.232 -0.623 1.00 15.24 H new ATOM 0 HD3 LYS A 68 1.722 -8.785 1.022 1.00 15.24 H new ATOM 0 HE2 LYS A 68 -0.391 -10.082 0.914 1.00 4.44 H new ATOM 0 HE3 LYS A 68 -0.670 -9.509 -0.719 1.00 4.44 H new ATOM 0 HZ1 LYS A 68 0.382 -11.422 -1.218 1.00 32.12 H new ATOM 0 HZ2 LYS A 68 1.781 -10.484 -1.001 1.00 32.12 H new ATOM 0 HZ3 LYS A 68 1.231 -11.492 0.250 1.00 32.12 H new ATOM 1099 N GLN A 69 0.864 -4.915 3.800 1.00 33.41 N ATOM 1100 CA GLN A 69 0.639 -5.079 5.244 1.00 61.03 C ATOM 1101 C GLN A 69 -0.137 -3.896 5.852 1.00 20.14 C ATOM 1102 O GLN A 69 -0.630 -3.980 6.977 1.00 12.31 O ATOM 1103 CB GLN A 69 1.985 -5.247 5.966 1.00 0.34 C ATOM 1104 CG GLN A 69 2.743 -6.509 5.571 1.00 10.22 C ATOM 1105 CD GLN A 69 4.141 -6.568 6.163 1.00 63.24 C ATOM 1106 OE1 GLN A 69 4.779 -5.544 6.391 1.00 24.44 O ATOM 1107 NE2 GLN A 69 4.628 -7.766 6.420 1.00 13.53 N ATOM 0 H GLN A 69 1.831 -4.709 3.551 1.00 33.41 H new ATOM 0 HA GLN A 69 0.030 -5.973 5.380 1.00 61.03 H new ATOM 0 HB2 GLN A 69 2.610 -4.379 5.756 1.00 0.34 H new ATOM 0 HB3 GLN A 69 1.810 -5.261 7.042 1.00 0.34 H new ATOM 0 HG2 GLN A 69 2.179 -7.383 5.897 1.00 10.22 H new ATOM 0 HG3 GLN A 69 2.811 -6.561 4.484 1.00 10.22 H new ATOM 0 HE21 GLN A 69 4.071 -8.597 6.219 1.00 13.53 H new ATOM 0 HE22 GLN A 69 5.561 -7.862 6.820 1.00 13.53 H new ATOM 1116 N SER A 70 -0.230 -2.790 5.117 1.00 14.33 N ATOM 1117 CA SER A 70 -0.978 -1.609 5.583 1.00 21.53 C ATOM 1118 C SER A 70 -2.284 -1.427 4.796 1.00 71.04 C ATOM 1119 O SER A 70 -2.944 -0.391 4.906 1.00 51.30 O ATOM 1120 CB SER A 70 -0.107 -0.346 5.465 1.00 22.01 C ATOM 1121 OG SER A 70 -0.753 0.795 6.023 1.00 52.42 O ATOM 0 H SER A 70 0.199 -2.680 4.198 1.00 14.33 H new ATOM 0 HA SER A 70 -1.236 -1.768 6.630 1.00 21.53 H new ATOM 0 HB2 SER A 70 0.843 -0.511 5.973 1.00 22.01 H new ATOM 0 HB3 SER A 70 0.121 -0.158 4.416 1.00 22.01 H new ATOM 0 HG SER A 70 -1.706 0.777 5.793 1.00 52.42 H new ATOM 1127 N ASP A 71 -2.646 -2.446 4.005 1.00 73.12 N ATOM 1128 CA ASP A 71 -3.882 -2.434 3.203 1.00 72.10 C ATOM 1129 C ASP A 71 -3.901 -1.295 2.164 1.00 32.32 C ATOM 1130 O ASP A 71 -4.967 -0.851 1.732 1.00 33.33 O ATOM 1131 CB ASP A 71 -5.112 -2.356 4.120 1.00 34.31 C ATOM 1132 CG ASP A 71 -5.326 -3.635 4.911 1.00 73.04 C ATOM 1133 OD1 ASP A 71 -4.678 -3.811 5.964 1.00 44.31 O ATOM 1134 OD2 ASP A 71 -6.141 -4.482 4.473 1.00 33.22 O ATOM 0 H ASP A 71 -2.095 -3.298 3.902 1.00 73.12 H new ATOM 0 HA ASP A 71 -3.913 -3.369 2.644 1.00 72.10 H new ATOM 0 HB2 ASP A 71 -4.995 -1.520 4.810 1.00 34.31 H new ATOM 0 HB3 ASP A 71 -5.998 -2.151 3.519 1.00 34.31 H new ATOM 1139 N VAL A 72 -2.720 -0.857 1.732 1.00 21.13 N ATOM 1140 CA VAL A 72 -2.612 0.213 0.736 1.00 40.53 C ATOM 1141 C VAL A 72 -2.795 -0.337 -0.692 1.00 75.34 C ATOM 1142 O VAL A 72 -1.871 -0.904 -1.276 1.00 3.13 O ATOM 1143 CB VAL A 72 -1.247 0.938 0.843 1.00 33.11 C ATOM 1144 CG1 VAL A 72 -1.173 2.117 -0.127 1.00 42.15 C ATOM 1145 CG2 VAL A 72 -0.988 1.395 2.279 1.00 63.24 C ATOM 0 H VAL A 72 -1.825 -1.224 2.054 1.00 21.13 H new ATOM 0 HA VAL A 72 -3.408 0.928 0.942 1.00 40.53 H new ATOM 0 HB VAL A 72 -0.467 0.229 0.566 1.00 33.11 H new ATOM 0 HG11 VAL A 72 -0.204 2.607 -0.030 1.00 42.15 H new ATOM 0 HG12 VAL A 72 -1.297 1.756 -1.148 1.00 42.15 H new ATOM 0 HG13 VAL A 72 -1.965 2.829 0.105 1.00 42.15 H new ATOM 0 HG21 VAL A 72 -0.024 1.902 2.331 1.00 63.24 H new ATOM 0 HG22 VAL A 72 -1.776 2.081 2.590 1.00 63.24 H new ATOM 0 HG23 VAL A 72 -0.979 0.529 2.940 1.00 63.24 H new ATOM 1155 N GLY A 73 -4.003 -0.184 -1.236 1.00 4.11 N ATOM 1156 CA GLY A 73 -4.291 -0.642 -2.596 1.00 61.24 C ATOM 1157 C GLY A 73 -4.343 0.500 -3.611 1.00 3.42 C ATOM 1158 O GLY A 73 -4.314 1.675 -3.237 1.00 2.31 O ATOM 0 H GLY A 73 -4.793 0.251 -0.760 1.00 4.11 H new ATOM 0 HA2 GLY A 73 -3.528 -1.358 -2.902 1.00 61.24 H new ATOM 0 HA3 GLY A 73 -5.245 -1.170 -2.602 1.00 61.24 H new ATOM 1162 N SER A 74 -4.450 0.153 -4.896 1.00 73.10 N ATOM 1163 CA SER A 74 -4.448 1.147 -5.985 1.00 23.33 C ATOM 1164 C SER A 74 -5.551 2.200 -5.797 1.00 11.12 C ATOM 1165 O SER A 74 -6.728 1.866 -5.643 1.00 32.03 O ATOM 1166 CB SER A 74 -4.621 0.457 -7.348 1.00 51.13 C ATOM 1167 OG SER A 74 -4.484 1.378 -8.420 1.00 44.20 O ATOM 0 H SER A 74 -4.540 -0.812 -5.214 1.00 73.10 H new ATOM 0 HA SER A 74 -3.484 1.654 -5.955 1.00 23.33 H new ATOM 0 HB2 SER A 74 -3.881 -0.336 -7.452 1.00 51.13 H new ATOM 0 HB3 SER A 74 -5.602 -0.015 -7.396 1.00 51.13 H new ATOM 0 HG SER A 74 -4.598 0.907 -9.272 1.00 44.20 H new ATOM 1173 N GLY A 75 -5.164 3.474 -5.815 1.00 3.44 N ATOM 1174 CA GLY A 75 -6.114 4.559 -5.579 1.00 20.02 C ATOM 1175 C GLY A 75 -5.991 5.166 -4.184 1.00 14.05 C ATOM 1176 O GLY A 75 -6.717 6.101 -3.842 1.00 73.33 O ATOM 0 H GLY A 75 -4.206 3.779 -5.989 1.00 3.44 H new ATOM 0 HA2 GLY A 75 -5.958 5.339 -6.324 1.00 20.02 H new ATOM 0 HA3 GLY A 75 -7.128 4.184 -5.718 1.00 20.02 H new ATOM 1180 N ALA A 76 -5.084 4.625 -3.371 1.00 71.42 N ATOM 1181 CA ALA A 76 -4.837 5.147 -2.022 1.00 40.24 C ATOM 1182 C ALA A 76 -3.984 6.426 -2.055 1.00 4.14 C ATOM 1183 O ALA A 76 -3.008 6.518 -2.806 1.00 20.53 O ATOM 1184 CB ALA A 76 -4.167 4.086 -1.155 1.00 1.14 C ATOM 0 H ALA A 76 -4.505 3.823 -3.622 1.00 71.42 H new ATOM 0 HA ALA A 76 -5.803 5.404 -1.587 1.00 40.24 H new ATOM 0 HB1 ALA A 76 -3.991 4.489 -0.158 1.00 1.14 H new ATOM 0 HB2 ALA A 76 -4.815 3.212 -1.084 1.00 1.14 H new ATOM 0 HB3 ALA A 76 -3.216 3.797 -1.603 1.00 1.14 H new ATOM 1190 N LYS A 77 -4.350 7.410 -1.236 1.00 71.41 N ATOM 1191 CA LYS A 77 -3.632 8.690 -1.194 1.00 63.21 C ATOM 1192 C LYS A 77 -2.683 8.776 0.013 1.00 64.32 C ATOM 1193 O LYS A 77 -3.119 8.837 1.165 1.00 30.02 O ATOM 1194 CB LYS A 77 -4.629 9.859 -1.179 1.00 63.40 C ATOM 1195 CG LYS A 77 -5.517 9.908 -2.418 1.00 12.11 C ATOM 1196 CD LYS A 77 -6.446 11.119 -2.413 1.00 51.43 C ATOM 1197 CE LYS A 77 -7.319 11.150 -3.659 1.00 65.42 C ATOM 1198 NZ LYS A 77 -8.185 12.358 -3.704 1.00 4.42 N ATOM 0 H LYS A 77 -5.138 7.349 -0.592 1.00 71.41 H new ATOM 0 HA LYS A 77 -3.020 8.755 -2.094 1.00 63.21 H new ATOM 0 HB2 LYS A 77 -5.258 9.780 -0.292 1.00 63.40 H new ATOM 0 HB3 LYS A 77 -4.079 10.796 -1.097 1.00 63.40 H new ATOM 0 HG2 LYS A 77 -4.892 9.935 -3.310 1.00 12.11 H new ATOM 0 HG3 LYS A 77 -6.112 8.996 -2.473 1.00 12.11 H new ATOM 0 HD2 LYS A 77 -7.077 11.093 -1.525 1.00 51.43 H new ATOM 0 HD3 LYS A 77 -5.855 12.033 -2.357 1.00 51.43 H new ATOM 0 HE2 LYS A 77 -6.686 11.125 -4.546 1.00 65.42 H new ATOM 0 HE3 LYS A 77 -7.942 10.256 -3.687 1.00 65.42 H new ATOM 0 HZ1 LYS A 77 -8.763 12.339 -4.569 1.00 4.42 H new ATOM 0 HZ2 LYS A 77 -8.808 12.370 -2.871 1.00 4.42 H new ATOM 0 HZ3 LYS A 77 -7.591 13.211 -3.704 1.00 4.42 H new ATOM 1212 N LEU A 78 -1.380 8.792 -0.264 1.00 10.32 N ATOM 1213 CA LEU A 78 -0.352 8.848 0.784 1.00 72.22 C ATOM 1214 C LEU A 78 0.086 10.296 1.060 1.00 44.44 C ATOM 1215 O LEU A 78 -0.258 11.215 0.318 1.00 74.32 O ATOM 1216 CB LEU A 78 0.878 8.023 0.364 1.00 75.13 C ATOM 1217 CG LEU A 78 0.598 6.575 -0.074 1.00 53.20 C ATOM 1218 CD1 LEU A 78 1.889 5.882 -0.508 1.00 52.31 C ATOM 1219 CD2 LEU A 78 -0.088 5.787 1.039 1.00 72.33 C ATOM 0 H LEU A 78 -1.005 8.767 -1.212 1.00 10.32 H new ATOM 0 HA LEU A 78 -0.785 8.433 1.694 1.00 72.22 H new ATOM 0 HB2 LEU A 78 1.376 8.540 -0.456 1.00 75.13 H new ATOM 0 HB3 LEU A 78 1.579 8.001 1.199 1.00 75.13 H new ATOM 0 HG LEU A 78 -0.078 6.608 -0.928 1.00 53.20 H new ATOM 0 HD11 LEU A 78 1.668 4.859 -0.814 1.00 52.31 H new ATOM 0 HD12 LEU A 78 2.329 6.424 -1.345 1.00 52.31 H new ATOM 0 HD13 LEU A 78 2.592 5.868 0.325 1.00 52.31 H new ATOM 0 HD21 LEU A 78 -0.274 4.767 0.702 1.00 72.33 H new ATOM 0 HD22 LEU A 78 0.554 5.767 1.919 1.00 72.33 H new ATOM 0 HD23 LEU A 78 -1.035 6.264 1.292 1.00 72.33 H new ATOM 1231 N MET A 79 0.846 10.495 2.130 1.00 60.14 N ATOM 1232 CA MET A 79 1.436 11.807 2.428 1.00 63.30 C ATOM 1233 C MET A 79 2.947 11.683 2.666 1.00 50.32 C ATOM 1234 O MET A 79 3.384 10.926 3.531 1.00 63.11 O ATOM 1235 CB MET A 79 0.768 12.431 3.661 1.00 12.41 C ATOM 1236 CG MET A 79 1.333 13.798 4.033 1.00 74.41 C ATOM 1237 SD MET A 79 0.591 14.482 5.527 1.00 1.30 S ATOM 1238 CE MET A 79 1.485 16.031 5.665 1.00 32.14 C ATOM 0 H MET A 79 1.072 9.769 2.810 1.00 60.14 H new ATOM 0 HA MET A 79 1.268 12.454 1.567 1.00 63.30 H new ATOM 0 HB2 MET A 79 -0.302 12.527 3.475 1.00 12.41 H new ATOM 0 HB3 MET A 79 0.885 11.756 4.509 1.00 12.41 H new ATOM 0 HG2 MET A 79 2.410 13.714 4.175 1.00 74.41 H new ATOM 0 HG3 MET A 79 1.173 14.489 3.205 1.00 74.41 H new ATOM 0 HE1 MET A 79 1.139 16.574 6.545 1.00 32.14 H new ATOM 0 HE2 MET A 79 2.552 15.828 5.760 1.00 32.14 H new ATOM 0 HE3 MET A 79 1.308 16.634 4.774 1.00 32.14 H new ATOM 1248 N LEU A 80 3.743 12.426 1.900 1.00 35.11 N ATOM 1249 CA LEU A 80 5.199 12.413 2.073 1.00 20.04 C ATOM 1250 C LEU A 80 5.679 13.698 2.754 1.00 62.00 C ATOM 1251 O LEU A 80 5.820 14.742 2.117 1.00 60.11 O ATOM 1252 CB LEU A 80 5.904 12.232 0.720 1.00 31.00 C ATOM 1253 CG LEU A 80 7.441 12.131 0.780 1.00 70.04 C ATOM 1254 CD1 LEU A 80 7.873 11.014 1.726 1.00 50.12 C ATOM 1255 CD2 LEU A 80 8.022 11.902 -0.615 1.00 30.54 C ATOM 0 H LEU A 80 3.410 13.041 1.158 1.00 35.11 H new ATOM 0 HA LEU A 80 5.454 11.569 2.714 1.00 20.04 H new ATOM 0 HB2 LEU A 80 5.516 11.330 0.246 1.00 31.00 H new ATOM 0 HB3 LEU A 80 5.637 13.070 0.076 1.00 31.00 H new ATOM 0 HG LEU A 80 7.827 13.075 1.164 1.00 70.04 H new ATOM 0 HD11 LEU A 80 8.961 10.961 1.753 1.00 50.12 H new ATOM 0 HD12 LEU A 80 7.495 11.219 2.728 1.00 50.12 H new ATOM 0 HD13 LEU A 80 7.472 10.064 1.374 1.00 50.12 H new ATOM 0 HD21 LEU A 80 9.108 11.834 -0.550 1.00 30.54 H new ATOM 0 HD22 LEU A 80 7.624 10.975 -1.027 1.00 30.54 H new ATOM 0 HD23 LEU A 80 7.749 12.734 -1.264 1.00 30.54 H new ATOM 1267 N MET A 81 5.924 13.618 4.056 1.00 1.22 N ATOM 1268 CA MET A 81 6.404 14.768 4.818 1.00 22.21 C ATOM 1269 C MET A 81 7.927 14.903 4.675 1.00 52.10 C ATOM 1270 O MET A 81 8.688 14.510 5.562 1.00 20.44 O ATOM 1271 CB MET A 81 6.006 14.635 6.296 1.00 15.04 C ATOM 1272 CG MET A 81 6.359 15.848 7.148 1.00 14.35 C ATOM 1273 SD MET A 81 6.005 15.589 8.897 1.00 75.01 S ATOM 1274 CE MET A 81 6.443 17.190 9.568 1.00 24.45 C ATOM 0 H MET A 81 5.799 12.769 4.608 1.00 1.22 H new ATOM 0 HA MET A 81 5.940 15.670 4.419 1.00 22.21 H new ATOM 0 HB2 MET A 81 4.932 14.462 6.357 1.00 15.04 H new ATOM 0 HB3 MET A 81 6.495 13.756 6.715 1.00 15.04 H new ATOM 0 HG2 MET A 81 7.417 16.079 7.025 1.00 14.35 H new ATOM 0 HG3 MET A 81 5.800 16.713 6.792 1.00 14.35 H new ATOM 0 HE1 MET A 81 6.894 17.061 10.552 1.00 24.45 H new ATOM 0 HE2 MET A 81 7.155 17.680 8.904 1.00 24.45 H new ATOM 0 HE3 MET A 81 5.547 17.805 9.657 1.00 24.45 H new ATOM 1284 N ALA A 82 8.360 15.431 3.534 1.00 71.04 N ATOM 1285 CA ALA A 82 9.788 15.579 3.232 1.00 32.42 C ATOM 1286 C ALA A 82 10.120 17.003 2.768 1.00 25.00 C ATOM 1287 O ALA A 82 9.302 17.658 2.124 1.00 44.13 O ATOM 1288 CB ALA A 82 10.199 14.570 2.166 1.00 21.44 C ATOM 0 H ALA A 82 7.741 15.767 2.796 1.00 71.04 H new ATOM 0 HA ALA A 82 10.348 15.389 4.147 1.00 32.42 H new ATOM 0 HB1 ALA A 82 11.260 14.685 1.946 1.00 21.44 H new ATOM 0 HB2 ALA A 82 10.011 13.560 2.530 1.00 21.44 H new ATOM 0 HB3 ALA A 82 9.620 14.743 1.259 1.00 21.44 H new ATOM 1294 N SER A 83 11.322 17.475 3.117 1.00 20.12 N ATOM 1295 CA SER A 83 11.809 18.820 2.743 1.00 55.03 C ATOM 1296 C SER A 83 10.840 19.939 3.166 1.00 75.25 C ATOM 1297 O SER A 83 10.919 21.063 2.668 1.00 25.33 O ATOM 1298 CB SER A 83 12.111 18.911 1.229 1.00 1.11 C ATOM 1299 OG SER A 83 10.955 18.719 0.422 1.00 52.32 O ATOM 0 H SER A 83 11.991 16.938 3.669 1.00 20.12 H new ATOM 0 HA SER A 83 12.738 18.971 3.292 1.00 55.03 H new ATOM 0 HB2 SER A 83 12.544 19.886 1.008 1.00 1.11 H new ATOM 0 HB3 SER A 83 12.859 18.163 0.967 1.00 1.11 H new ATOM 0 HG SER A 83 10.159 18.688 0.993 1.00 52.32 H new ATOM 1305 N GLN A 84 9.958 19.637 4.119 1.00 53.10 N ATOM 1306 CA GLN A 84 8.972 20.609 4.611 1.00 34.02 C ATOM 1307 C GLN A 84 8.776 20.494 6.129 1.00 42.23 C ATOM 1308 O GLN A 84 9.417 19.677 6.793 1.00 32.54 O ATOM 1309 CB GLN A 84 7.620 20.403 3.911 1.00 75.20 C ATOM 1310 CG GLN A 84 7.017 19.015 4.129 1.00 30.01 C ATOM 1311 CD GLN A 84 5.564 18.928 3.695 1.00 73.24 C ATOM 1312 OE1 GLN A 84 5.260 18.646 2.545 1.00 52.23 O ATOM 1313 NE2 GLN A 84 4.654 19.167 4.616 1.00 40.34 N ATOM 0 H GLN A 84 9.904 18.724 4.570 1.00 53.10 H new ATOM 0 HA GLN A 84 9.357 21.603 4.384 1.00 34.02 H new ATOM 0 HB2 GLN A 84 6.917 21.155 4.270 1.00 75.20 H new ATOM 0 HB3 GLN A 84 7.746 20.570 2.841 1.00 75.20 H new ATOM 0 HG2 GLN A 84 7.601 18.280 3.576 1.00 30.01 H new ATOM 0 HG3 GLN A 84 7.092 18.753 5.184 1.00 30.01 H new ATOM 0 HE21 GLN A 84 4.940 19.400 5.567 1.00 40.34 H new ATOM 0 HE22 GLN A 84 3.663 19.119 4.378 1.00 40.34 H new ATOM 1322 N GLY A 85 7.878 21.318 6.666 1.00 21.41 N ATOM 1323 CA GLY A 85 7.540 21.262 8.087 1.00 23.45 C ATOM 1324 C GLY A 85 6.063 20.936 8.328 1.00 64.32 C ATOM 1325 O GLY A 85 5.221 21.276 7.461 1.00 38.18 O ATOM 1326 OXT GLY A 85 5.739 20.345 9.380 1.00 38.18 O ATOM 0 H GLY A 85 7.372 22.031 6.140 1.00 21.41 H new ATOM 0 HA2 GLY A 85 8.159 20.509 8.575 1.00 23.45 H new ATOM 0 HA3 GLY A 85 7.778 22.219 8.551 1.00 23.45 H new TER 1330 GLY A 85